SCHEMBL2772084

SCHEMBL2772084

O=C(Cl)c1ccc[n+]([O-])c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
GPR84 Q9NQS5 4/20 0.51
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.39
NNMT P40261 1/20 0.37

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 SCHEMBL11050103 0.98 MEN1 (0.66) MEN1KMT2AGPR84ABL1RIN1
Oxiniacic Acid SCHEMBL129209 0.81 MEN1 (1.00) MEN1KMT2AGPR84ABL1RIN1
Oxiniacic Acid SCHEMBL29766756 0.81 MEN1 (1.00) MEN1KMT2AGPR84ABL1RIN1
SCHEMBL29618255 0.79 MEN1 (0.68) MEN1KMT2AGPR84ABL1RIN1
SCHEMBL128526 0.79 MEN1 (0.68) MEN1KMT2AGPR84ABL1RIN1
SCHEMBL212234 0.79 MEN1 (0.68) MEN1KMT2AGPR84ABL1RIN1
SCHEMBL9083270 0.79 MEN1 (0.68) MEN1KMT2AGPR84ABL1RIN1
SCHEMBL10920085 0.78 MEN1 (0.71) MEN1KMT2AGPR84ABL1RIN1
SCHEMBL10899428 0.78 MEN1 (0.71) MEN1KMT2AGPR84ABL1RIN1
Maleic Acid SCHEMBL19463946 0.76 KMT2A (0.57) MEN1KMT2AGPR84ABL1RIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 US disclosed
US-8263595-B2 Triazolopyridine compounds and their use as ask inhibitors MERCK SERONO SA (CH) 2012-09-11 US disclosed
CN-101878212-A Triazolopyridine compounds and their use as ask inhibitors SERONO LAB 2010-11-03 CN disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 US disclosed
US-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MERCK SERONO SA (CH) 2010-08-05 US disclosed
EP-2181112-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS Merck Serono S.A. (CH) 2010-05-05 EP disclosed
WO-2009027283-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MERCK SERONO S.A. (CH) 2009-03-05 WO disclosed
US-4501747-A ANTIHISTAMINES SANOFI (FR) 1985-02-26 US disclosed
US-4110324-A HYPOLIPIDEMIC GUERITEE NICOLAS 1978-08-29 US disclosed
US-4068074-A BACTERICIDES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1978-01-10 US disclosed
US-4042581-A HYPOLIPIDEMIC AGENTS GUERITEE NICOLAS 1977-08-16 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-20100197681-A1 Triazolopyridine Compounds and Their Use as Ask Inhibitors MAP3K5, MAPKAPK5, MAP3K9 MEN1 3192/4885KMT2A 2653/4885GPR84 2561/4885
US-20120238565-A1 TRIAZOLOPYRIDINE COMPOUNDS AND THEIR USE AS ASK INHIBITORS MAP3K5, MAPKAPK5, MAP3K9 MEN1 3192/4885KMT2A 2653/4885GPR84 2561/4885

“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.