SCHEMBL5772762

SCHEMBL5772762

Cc1cc(C)nc(CC(N)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
NOS2 P35228 5/20 0.42
NOS3 P29474 4/20 0.42
NOS1 P29475 2/20 0.42
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
LCK P06239 1/20 0.36

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
SCHEMBL11240594 0.82 MAPT (0.42) HTTNOS2NOS3NOS1ALDH1A1
SCHEMBL11448126 0.82 KDM4E (0.45) HTTNOS2NOS3NOS1ALDH1A1
SCHEMBL30349506 0.82 KDM4E (0.45) HTTNOS2NOS3NOS1ALDH1A1
SCHEMBL30375828 0.81 HTT (0.59) HTTALDH1A1POLBMEN1LMNA
SCHEMBL9665232 0.80 NOS2 (0.45) HTTNOS2NOS3NOS1MAPK1
SCHEMBL17427958 0.78 KDM4E (0.48) ALDH1A1MEN1LMNAKMT2AMAPK1
SCHEMBL17396687 0.78 HTT (0.50) HTTKMT2A
SCHEMBL17411446 0.76 HTT (0.49) HTTALDH1A1POLBMEN1KMT2A
SCHEMBL2091085 0.74 HTT (1.00) HTTALDH1A1POLBMEN1LMNA
SCHEMBL6510299 0.73 P2RX7 (0.49) HTTNOS2NOS3ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660504-A1 THIENOPYRIDINE-PHENYLACET AMIDES AND THEIR DERIVATIVES USEFUL AS NEW ANTI-ANGIOGENIC AGENTS PFIZER INC. (US) 2006-05-31 EP claimed
WO-2005021554-A1 THIENOPYRIDINE-PHENYLACET AMIDES AND THEIR DERIVATIVES USEFUL AS NEW ANTI-ANGIOGENIC AGENTS PFIZER INC. (US) 2005-03-10 WO claimed
US-9809588-B2 GLS1 inhibitors for treating disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-11-07 US disclosed
US-20170291895-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2017-10-12 US disclosed
US-20160009704-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-14 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-20160009704-A1 GLS1 INHIBITORS FOR TREATING DISEASE GLS2, GLS, GLG1 HTT 2245/4885NOS2 1711/4885NOS3 1868/4885
US-20170291895-A1 GLS1 INHIBITORS FOR TREATING DISEASE GLS2, GLS, GLG1 HTT 2245/4885NOS2 1711/4885NOS3 1868/4885

“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.