SCHEMBL1752645

SCHEMBL1752645

c1ccc(NN2CCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.50
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 4/20 0.44
CYP2C19 P33261 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 4/20 0.39
HSD17B10 Q99714 2/20 0.39
CTSD P07339 1/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
KCNA5 P22460 2/20 0.38
KCNH2 Q12809 2/20 0.38
NPC1 O15118 2/20 0.38

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
Hydrochloric Acid SCHEMBL19996083 0.98 KDM1A (0.48) KDM1AALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL7627201 0.98 KDM1A (0.53) KDM1AALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL73610 0.98 KDM1A (0.53) KDM1AALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL17911056 0.98 KDM1A (0.53) KDM1AALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL1829575 0.95 KDM1A (0.46) KDM1AALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL4055295 0.90 ALDH1A1 (0.43) KDM1AALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL6626303 0.82 POLB (0.44) KDM1AALDH1A1CYP2C19KMT2AMEN1
SCHEMBL3544482 0.81 POLB (0.44) KDM1AALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL1399548 0.79 SMN1; SMN2 (0.56) CYP2C19KMT2AGAACYP2D6KCNH2
SCHEMBL644787 0.79 POLB (0.49) ALDH1A1CYP1A2KMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1873168-B1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES BRIDGESTONE CORP (JP) 2012-12-12 EP claimed
US-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 US claimed
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP claimed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO claimed
US-20090292043-A1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES BRIDGESTONE CORPORATION (JP) 2009-11-26 US claimed
EP-1873168-A1 MODIFIED CONJUGATED DIENE COPOLYMER, RUBBER COMPOSITIONS AND TIRES Bridgestone Corporation (JP) 2008-01-02 EP claimed
US-20060025539-A1 Modified polymers prepared with lanthanide-based catalysts OZAWA YOICHI 2006-02-02 US claimed
US-6977281-B1 Modified polymers prepared with lanthanide-based catalysts BRIDGESTONE CORPORATION (JP) 2005-12-20 US claimed
US-20050065186-A1 Heterocyclyloxy-, -thioxy-and-aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-03-24 US claimed
US-20030069278-A1 Heterocyclyloxy-, -thioxy- and -aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2003-04-10 US claimed
CN-122006631-A Device for preparing hydrogen fluoride by molecular recognition complexation method and application thereof 浙江大学衢州研究院 2026-05-12 CN disclosed
CN-118221684-A Method for preparing quinoxaline derivative through HFIP-promoted defluorination cyclization reaction of difluoro carbene reagent 陕西科技大学 2024-06-21 CN disclosed
EP-4209485-A1 COMPOUND HAVING ANTITUMOR ACTIVITY AND USE THEREOF Innovstone Therapeutics Limited (CN) 2023-07-12 EP disclosed
EP-3511003-B1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 2021-03-03 EP disclosed
EP-3511002-B1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 2020-08-19 EP disclosed
EP-0465254-B1 Fused thiophene compounds and uses thereof YOSHITOMI PHARMACEUTICAL (JP) 1996-11-13 EP disclosed
US-5258281-A Light sensitive silver halide multilayer elements with dyes and heat development accelerators CANON KABUSHIKI KAISHA (JP) 1993-11-02 US disclosed
US-5141930-A Antianxietic drug, antipsychotics and cardiotonic agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-08-25 US disclosed
EP-0486246-A1 Heat-developable photosensitive material CANON KABUSHIKI KAISHA (JP) 1992-05-20 EP disclosed
EP-0465254-A1 Fused thiophene compounds and uses thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-01-08 EP 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 (3 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-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 KDM1A 2810/4885ALDH1A1 2947/4885CYP1A2 4541/4885
US-20050065186-A1 Heterocyclyloxy-, -thioxy-and-aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR5A KDM1A 3176/4885ALDH1A1 830/4885CYP1A2 298/4885
US-20030069278-A1 Heterocyclyloxy-, -thioxy- and -aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR5A KDM1A 2836/4885ALDH1A1 659/4885CYP1A2 310/4885

“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.