SCHEMBL6003890

SCHEMBL6003890

N#Cc1cccc(NC(=O)c2cc[nH]n2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.64
HTT P42858 1/20 0.54
P2RX1 P51575 1/20 0.53
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
RXFP1 Q9HBX9 1/20 0.48
GRM5 P41594 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.48
EGLN1 Q9GZT9 1/20 0.47
ESRRG P62508 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL27863583 0.83 TAS1R3 (0.52) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL30677473 0.79 MEN1 (0.58) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL4560140 0.79 RAB9A (0.57) HTTP2RX1ALDH1A1MAPTMEN1
SCHEMBL30643203 0.78 GRM4 (1.00) GRM4HTTSMN1; SMN2EGLN1NPC1
SCHEMBL6532409 0.78 MGLL (0.55) MEN1KMT2APOLB
SCHEMBL19748 0.78 KMT2A (0.61) HTTALDH1A1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL13210705 0.76 NAMPT (0.66) GRM4HTTP2RX1ALDH1A1MAPT
SCHEMBL29580531 0.74 MAPT (0.87) GRM4HTTP2RX1ALDH1A1MAPT
SCHEMBL30606801 0.74 MAPT (0.87) GRM4HTTP2RX1ALDH1A1MAPT
SCHEMBL2173418 0.74 HTT (0.71) GRM4HTTALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183780-A1 Pyrazole compounds useful in the treatment of inflammation BIOLIPOX AB (SE) 2006-08-17 US disclosed
EP-1603897-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2005-12-14 EP disclosed
WO-2004080999-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2004-09-23 WO 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 (1 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-20060183780-A1 Pyrazole compounds useful in the treatment of inflammation ALOX15, ALOX12, ALOX15B GRM4 2581/4885HTT 3731/4885P2RX1 326/4885

“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.