SCHEMBL7101277

SCHEMBL7101277

Cn1c(=O)n(CCOc2ccc(Br)cc2)c(=O)c2cc(C(=O)O)ncc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
RXFP1 Q9HBX9 1/20 0.44
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 2/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
KDM4E B2RXH2 1/20 0.39
TRPC5 Q9UL62 1/20 0.39
ADORA1 P30542 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
PKM P14618 1/20 0.38
PDE3B Q13370 1/20 0.38

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
SCHEMBL7097229 0.90 MEN1 (0.47) TSHRRXFP1MAOAMAOBNPC1
SCHEMBL7096688 0.90 RXFP1 (0.44) RXFP1MAOAMAOBNPC1RAB9A
SCHEMBL7097739 0.84 MMP13 (0.46) TSHRMEN1ALDH1A1KMT2ALMNA
SCHEMBL7100732 0.78 PIK3CD (0.51) ALDH1A1LMNAKDM4EPKM
SCHEMBL7014083 0.77 MAPK1 (0.55) TSHRMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6255569 0.76 MMP13 (0.53) TSHRRAB9AMEN1ALDH1A1KMT2A
SCHEMBL7104279 0.74 PIK3CG (0.40) ALDH1A1KMT2ASMN1; SMN2KDM4EADORA2A
SCHEMBL7103058 0.74 MMP13 (0.47) TSHRALDH1A1LMNAKDM4ETRPC5
SCHEMBL7017009 0.73 MAPT (0.51) TSHRRXFP1MEN1ALDH1A1KMT2A
SCHEMBL7018710 0.73 MMP13 (0.46) RXFP1ALDH1A1SMN1; SMN2LMNAPKM

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
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP disclosed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US disclosed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 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-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 TSHR 623/4885RXFP1 83/4885MAOA 205/4885

“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.