SCHEMBL3686407

SCHEMBL3686407

CCn1ncc2c([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 0.47
NOS1 P29475 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
CREBBP Q92793 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL6118688 0.88 TDP1 (0.44) TDP1NOS1ALDH1A1L3MBTL1MITF
SCHEMBL476964 0.84 CNR1 (0.46) TDP1NOS1ALDH1A1LMNAHTT
SCHEMBL6117729 0.84 TDP1 (0.43) TDP1NOS1ALDH1A1L3MBTL1MITF
SCHEMBL11611635 0.84 GAA (0.51) TDP1NOS1ALDH1A1MEN1KMT2A
SCHEMBL30861009 0.83 TDP1 (0.46) TDP1NOS1ALDH1A1MEN1KMT2A
SCHEMBL27228011 0.83 TDP1 (0.46) TDP1NOS1ALDH1A1MEN1KMT2A
SCHEMBL27227825 0.82 LMNA (0.43) TDP1NOS1ALDH1A1MEN1KMT2A
SCHEMBL4554503 0.82 TDP1 (0.44) TDP1NOS1ALDH1A1L3MBTL1MITF
SCHEMBL27227989 0.82 TDP1 (0.44) TDP1NOS1ALDH1A1MEN1KMT2A
SCHEMBL6123468 0.81 TDP1 (0.41) TDP1NOS1ALDH1A1L3MBTL1MITF

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 43 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-2024099269-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, USE THEREOF 华东师范大学 2024-05-16 WO disclosed
CN-118026880-A Aryl amide compound, pharmaceutical composition containing same and application thereof 华东师范大学 2024-05-14 CN disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 WO disclosed
EP-2799431-B1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2018-01-24 EP disclosed
EP-2799431-B1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2018-01-24 EP disclosed
US-9388192-B2 Benzimidazole derivatives as Kinase Inhibitors SELVITA S.A. (PL) 2016-07-12 US disclosed
CN-104024226-B Novel nicotinamide derivative or salt thereof FUJIFILM CORP. (JP) 2016-06-01 CN disclosed
US-20150336967-A1 Novel Benzimidazole Derivatives as Kinase Inhibitors Ryvu Therapeutics S.A. (PL) 2015-11-26 US disclosed
US-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 US disclosed
CN-101917999-A Modulation of protein trafficking FOLDRX PHARMACEUTICALS INC 2010-12-15 CN disclosed
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 US disclosed
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 US disclosed
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 US disclosed
EP-2217239-A2 MODULATION OF PROTEIN TRAFFICKING Foldrx Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
CN-101460161-A Inhibition of alpha-synuclein toxicity FOLDRX PHARMACEUTICALS INC (US) 2009-06-17 CN disclosed
WO-2009062118-A2 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed
EP-2007373-A2 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY Foldrx Pharmaceuticals, Inc. (US) 2008-12-31 EP disclosed
WO-2007126841-A2 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRX PHARMACEUTICALS, INC. (US) 2007-11-08 WO disclosed
WO-2007126841-A2 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRX PHARMACEUTICALS, INC. (US) 2007-11-08 WO 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-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY SNCA, PARK7, PINK1 TDP1 356/4885NOS1 2907/4885ALDH1A1 2199/4885
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 TDP1 608/4885NOS1 4272/4885ALDH1A1 4623/4885
US-20150336967-A1 Novel Benzimidazole Derivatives as Kinase Inhibitors PIM1, PIM3, PIM2 TDP1 455/4885NOS1 1488/4885ALDH1A1 1344/4885

“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.