SCHEMBL1284068

SCHEMBL1284068

Nc1cnccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
ALDH1A1 P00352 5/20 0.53
TDP1 Q9NUW8 5/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 2/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KDM6B O15054 1/20 0.42
KDM4A O75164 1/20 0.42
THRB P10828 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL29618079 0.83 ALDH1A1 (0.57) MAPTALDH1A1TDP1TSHRMEN1
SCHEMBL1085604 0.83 ALDH1A1 (0.57) MAPTALDH1A1TDP1TSHRMEN1
Methane SCHEMBL28322282 0.82 ALDH1A1 (0.55) MAPTALDH1A1TDP1TSHRMEN1
SCHEMBL8568179 0.80 ALDH1A1 (0.53) MAPTALDH1A1TSHRMEN1KMT2A
Ethylene SCHEMBL27749127 0.77 ALDH1A1 (0.50) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL3577339 0.76 MAPT (0.52) MAPTALDH1A1TDP1TSHRMEN1
SCHEMBL2602388 0.75 ALDH1A1 (0.50) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL488895 0.75 GPR35 (0.47) MAPTALDH1A1TDP1TSHRMEN1
SCHEMBL8565703 0.75 ALDH1A1 (0.45) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL2795290 0.75 ALDH1A1 (0.49) MAPTALDH1A1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970260-B1 IMIDAZO[4,5-C]PYRIDINE AND PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS SSAO INHIBITORS PROXIMAGEN LLC (US) 2019-04-24 EP disclosed
CN-107602590-A Endocyclic compound with Janus kinase inhibiting activities 无锡福祈制药有限公司 2018-01-19 CN disclosed
WO-2014140592-A1 IMIDAZO[4,5-C]PYRIDINE AND PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS SSAO INHIBITORS PROXIMAGEN LIMITED (GB) 2014-09-18 WO disclosed
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
EP-2440544-B1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH SPA (IT) 2013-08-14 EP disclosed
CN-102803246-A HEDGEHOG pathway antagonists and therapeutic applications thereof SIENA BIOTECH SPA 2012-11-28 CN disclosed
EP-2440544-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF Siena Biotech S.p.A. (IT) 2012-04-18 EP disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 US disclosed
CN-1258299-A Polycyclic erythromycin derivatives ABBOTT LAB (US) 2000-06-28 CN disclosed
EP-0984975-A1 MULTICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 2000-03-15 EP disclosed
US-5968946-A FUSED PYRROLO-IMIDAZOPYRIDINE DERIVATIVES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-10-19 US disclosed
US-5922683-A ANTIBIOTICS TREATING BACTERIAL INFECTION ABBOTT LABORATORIES (US) 1999-07-13 US disclosed
WO-1999018105-A1 DIPYRIDOIMIDAZOLDERIVATIVES USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-04-15 WO disclosed
WO-1998054197-A1 MULTICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-12-03 WO disclosed
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
CN-1138033-A Process for produducing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1996-12-18 CN disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 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 (1 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-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO MAPT 3104/4885ALDH1A1 2448/4885TDP1 4712/4885

“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.