SCHEMBL2457565

SCHEMBL2457565

C(=Cc1nnn[nH]1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 7/20 0.44
HPGD P15428 5/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HSP90AA1 P07900 1/20 0.44
PKM P14618 1/20 0.44
POLB P06746 2/20 0.43
GFER P55789 1/20 0.43
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 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
SCHEMBL2457562 1.00 KMT2A (0.47) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL3656377 0.82 KMT2A (0.34) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL3054647 0.79 CYP19A1 (0.53) NPC1GFERMAOBMAOACYP19A1
SCHEMBL6074113 0.76 ESR1 (0.55) CYP19A1
SCHEMBL2457151 0.76
SCHEMBL2465471 0.74 ALOX5 (0.40) KDM4ESMN1; SMN2POLB
SCHEMBL2465472 0.74 ALOX5 (0.40) KDM4ESMN1; SMN2POLB
SCHEMBL2457353 0.72 RAB9A (0.39) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL9537543 0.72 ALDH1A1 (0.36) KMT2AMEN1KDM4EALDH1A1NPC1
SCHEMBL2459879 0.71 POLB (0.40) KMT2AMEN1KDM4EHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9918964-B2 Reducing platelet activation, aggregation and platelet-stimulated thrombosis or blood coagulation by reducing mitochondrial respiration THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-03-20 US disclosed
US-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration STANFORD UNIVERSITY (US) 2011-12-08 US disclosed
US-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-09-29 US disclosed
WO-2010068287-A2 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY ANGION BIOMEDICA CORP. (US) 2010-06-17 WO disclosed
US-6376484-B1 FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 US disclosed
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP disclosed
US-4868193-A ANTIINFLAMMATORY AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1989-09-19 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 (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-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY HGF, HDGF, MET KMT2A 4354/4885MEN1 2613/4885KDM4E 4565/4885
US-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration PC, PFKP, UQCRC1 KMT2A 4455/4885MEN1 4392/4885KDM4E 4339/4885

“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.