SCHEMBL2851060

SCHEMBL2851060

O=C(O)COc1ccc(/C=N\O)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
ALDH1A1 P00352 4/20 0.57
MAPT P10636 3/20 0.57
MEN1 O00255 2/20 0.57
ALOX15 P16050 1/20 0.55
RAB9A P51151 3/20 0.53
PTPN12 Q05209 2/20 0.52
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
FFAR1 O14842 1/20 0.50
GPR35 Q9HC97 1/20 0.50
PPARG P37231 2/20 0.49
PPARA Q07869 2/20 0.49
PTPN7 P35236 1/20 0.49

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
SCHEMBL2851063 1.00 KMT2A (0.57) KMT2AALDH1A1MAPTMEN1ALOX15
SCHEMBL8181856 0.84 ALDH1A1 (0.54) KMT2AALDH1A1MAPTMEN1ALOX15
SCHEMBL28749728 0.83 KMT2A (0.63) KMT2AALDH1A1MAPTMEN1RAB9A
Hydrochloric Acid SCHEMBL8040373 0.83 ALDH1A1 (0.53) KMT2AALDH1A1MAPTMEN1ALOX15
SCHEMBL12626708 0.81 PTGS2 (0.61) KMT2AALDH1A1MAPTMEN1RAB9A
SCHEMBL6779837 0.81 PTGS2 (0.61) KMT2AALDH1A1MAPTMEN1RAB9A
SCHEMBL6779843 0.81 PTGS2 (0.61) KMT2AALDH1A1MAPTMEN1RAB9A
SCHEMBL20024689 0.81 ALOX15 (0.63) KMT2AALDH1A1MAPTMEN1ALOX15
SCHEMBL2876298 0.80 ALOX15 (0.58) KMT2AALDH1A1MAPTMEN1ALOX15
SCHEMBL2876296 0.80 ALOX15 (0.58) KMT2AALDH1A1MAPTMEN1ALOX15

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
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 EP disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US disclosed
EP-1656139-A1 ARYL DICARBOXAMIDES Applied Research Systems ARS Holding N.V. (AN) 2006-05-17 EP disclosed
EP-1654247-A1 ALKYNYL ARYL CARBOXAMIDES Applied Research Systems ARS Holding N.V. (AN) 2006-05-10 EP disclosed
WO-2005011685-A1 ARYL DICARBOXAMIDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 WO disclosed
WO-2005012280-A1 ALKYNYL ARYL CARBOXAMIDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-02-10 WO disclosed
US-20050004111-A1 Degenerative joints disease; osteoarthritis AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-06 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-20050004111-A1 Degenerative joints disease; osteoarthritis MMP13, ADAMTS13, DPYD KMT2A 1836/4885ALDH1A1 226/4885MAPT 1703/4885
US-20070105913-A1 Alkynyl aryl carboxamides ECHS1, IRS1, HCCS KMT2A 2331/4885ALDH1A1 1454/4885MAPT 4879/4885

“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.