SCHEMBL4834371

SCHEMBL4834371

O=[N+]([O-])c1ccc(Cn2ncnn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.48
TGM2 P21980 1/20 0.47
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ATM Q13315 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KCNJ1 P48048 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P2RX4 Q99571 1/20 0.42
DBH P09172 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
KCNH2 Q12809 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
SCHEMBL3153088 0.80 CYP19A1 (0.57) CYP19A1TGM2POLBMEN1KMT2A
SCHEMBL1186577 0.73 KMT2A (0.50) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL4833321 0.72 CFTR (0.53) CYP19A1POLBMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL10799631 0.71 KMT2A (0.49) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL4831318 0.71 TGM2 (0.54) CYP19A1TGM2POLBMEN1KMT2A
SCHEMBL3141993 0.71 CYP19A1 (0.57) CYP19A1TGM2POLBMEN1KMT2A
SCHEMBL994055 0.71 CYP19A1 (0.57) CYP19A1TGM2POLBMEN1KMT2A
SCHEMBL2351887 0.70 CYP19A1 (0.64) CYP19A1LOXL2
SCHEMBL7094207 0.68 CYP19A1 (0.55) CYP19A1TGM2POLBMEN1KMT2A
SCHEMBL5905840 0.67 KMT2A (0.70) CYP19A1POLBMEN1KMT2AKDM4E

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014002109-A1 SUBSTITUTED TETRAZOLE COMPOUNDS AND PROCESS THEREOF RALLIS INDIA LIMITED (IN) 2014-01-03 WO claimed
WO-2014002110-A1 SUBSTITUTUED PYRAZOLE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF. RALLIS INDIA LIMITED (IN) 2014-01-03 WO claimed
WO-2014002109-A1 SUBSTITUTED TETRAZOLE COMPOUNDS AND PROCESS THEREOF RALLIS INDIA LIMITED (IN) 2014-01-03 WO disclosed
WO-2014002110-A1 SUBSTITUTUED PYRAZOLE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF. RALLIS INDIA LIMITED (IN) 2014-01-03 WO disclosed
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
CN-1731994-A Prophylactic and therapeutic agent for neuropathy TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-08 CN disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO disclosed
CN-1060479-C Preparation method for imidazole derivatives MERCK SHARP & DOHME (GB) 2001-01-10 CN disclosed
EP-0497512-B1 Imidazole, triazole and tetrazole derivatives MERCK SHARP & DOHME (GB) 1997-09-24 EP disclosed
EP-0778275-A1 Process for the preparation of imidazole, triazole and tetrazole derivatives and their use as selective 5-HT-1 receptor agonists MERCK SHARP & DOHME LTD. (GB) 1997-06-11 EP disclosed
US-5602163-A SELECTIVE AGONISTS OF 5-HYDROXYTRYPTAMINE RECEPTORS; USEFUL IN TREATMENT OF MIGRAINE HEADACHES MERCK, SHARP & DOHME LTD. (GB) 1997-02-11 US disclosed
US-5602162-A TREATMENT AND/OR PREVENTION OF MIGRAINE MERCK, SHARP & DOHME LTD. (GB) 1997-02-11 US disclosed
US-5451588-A Treatment of migraines MERCK SHARP & DOHME LTD. (GB) 1995-09-19 US disclosed
US-5298520-A Triazole containing indole derivatives MERCK SHARP & DOHME LIMITED (GB) 1994-03-29 US disclosed
EP-0497512-A2 Imidazole, triazole and tetrazole derivatives MERCK SHARP & DOHME LTD. (GB) 1992-08-05 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 (2 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CYP19A1 790/4885TGM2 1885/4885POLB 3700/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CYP19A1 790/4885TGM2 1885/4885POLB 3700/4885

“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.