SCHEMBL618730

SCHEMBL618730

Cn1ncc2c([N+](=O)[O-])cccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
GAA P10253 3/20 0.46
NOS1 P29475 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
CREBBP Q92793 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
GPR35 Q9HC97 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30410440 1.00 TDP1 (0.50) TDP1GAANOS1ALDH1A1MEN1
SCHEMBL27939960 0.90 MAPT (0.41) TDP1GAANOS1ALDH1A1MEN1
SCHEMBL6118688 0.81 TDP1 (0.44) TDP1GAANOS1ALDH1A1MITF
SCHEMBL331783 0.81 GAA (0.59) TDP1GAANOS1ALDH1A1MEN1
SCHEMBL3686407 0.81 TDP1 (0.47) TDP1GAANOS1ALDH1A1MEN1
SCHEMBL29687237 0.80 TDP1 (0.50) TDP1GAANOS1ALDH1A1MEN1
SCHEMBL4555832 0.80 TDP1 (0.50) TDP1GAANOS1ALDH1A1MEN1
SCHEMBL27983393 0.80 TDP1 (0.50) TDP1GAANOS1ALDH1A1MEN1
SCHEMBL27758503 0.80 TDP1 (0.50) TDP1GAANOS1ALDH1A1MEN1
SCHEMBL27779498 0.80 TDP1 (0.50) TDP1GAANOS1ALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 US disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 WO disclosed
WO-2023092175-A1 NOVEL P2X7 RECEPTOR ANTAGONISTS THE UNIVERSITY OF SYDNEY (AU) 2023-06-01 WO disclosed
EP-1931681-B1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS SA (CH) 2012-11-14 EP disclosed
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-11-01 US disclosed
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-16 US disclosed
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (CH) 2011-01-27 US disclosed
US-7842703-B2 Substituted benzofused derivatives and their use as vanilloid receptor ligands GLENMARK PHARMACEUTICALS S.A. (CH) 2010-11-30 US disclosed
US-7662821-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AG (DE) 2010-02-16 US disclosed
US-7659297-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines Bayer Schering Pharma, AG (DE) 2010-02-09 US disclosed
US-6933311-B2 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2005-08-23 US disclosed
EP-1562934-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2005-08-17 EP disclosed
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-04 US disclosed
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES 2005-05-26 US disclosed
WO-2005034939-A1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-21 WO disclosed
WO-2005028445-A2 DERIVATIVES OF N-(1H-INDAZOLYL)- AND N-(1H-INDOLYL)-UREA AS WELL AS RELATED COMPOUNDS AS MODULATORS OF THE VANILLOID-1 RECEPTOR (VR1) FOR THE TREATMENT OF PAIN MERCK SHARP & DOHME LIMITED (GB) 2005-03-31 WO disclosed
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-08-12 US disclosed
WO-2004046133-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2004-06-03 WO disclosed
US-6552021-B2 Antitumor agent XENOVA LIMITED (GB) 2003-04-22 US disclosed
US-20010034346-A1 Pharmaceutical compounds XENOVA LIMITED, BRITISH BODY CORPORATE (GB) 2001-10-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 TDP1 2808/4885GAA 3723/4885NOS1 1098/4885
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, TMEM109, VIPR1 TDP1 3067/4885GAA 3834/4885NOS1 1259/4885
US-20120041011-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 TDP1 4630/4885GAA 893/4885NOS1 3576/4885
US-20110021549-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 TDP1 4630/4885GAA 893/4885NOS1 3576/4885
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES TDP1 2179/4885GAA 3039/4885NOS1 51/4885
US-20010034346-A1 Pharmaceutical compounds TOP1, ABCC1, TOP2A TDP1 94/4885GAA 609/4885NOS1 1280/4885
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 TDP1 608/4885GAA 959/4885NOS1 4272/4885
US-20120277259-A1 SUBSTITUTED BENZOFUSED DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS TRPV1, GPR17, TRPV6 TDP1 4634/4885GAA 924/4885NOS1 3638/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.