SCHEMBL785256

SCHEMBL785256

Cc1cc(C(=O)NC2CCc3cc(C(=O)O)c(F)cc32)no1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
DHODH Q02127 1/20 0.46
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MLLT3 P42568 1/20 0.41
MLLT1 Q03111 1/20 0.41
NPC1 O15118 1/20 0.40
GAA P10253 3/20 0.40
GFER P55789 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
RIPK1 Q13546 2/20 0.39
MAPT P10636 1/20 0.39
NOD1 Q9Y239 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
SCHEMBL785434 1.00 TSHR (0.55) TSHRDHODHRAB9AALDH1A1LMNA
SCHEMBL803183 0.89 TSHR (0.53) TSHRDHODHRAB9AALDH1A1LMNA
SCHEMBL785379 0.81 TSHR (0.62) TSHRDHODHPOLBMLLT3MLLT1
SCHEMBL785528 0.81 TSHR (0.62) TSHRDHODHPOLBMLLT3MLLT1
SCHEMBL883817 0.77 TAS1R3 (0.49) RAB9AALDH1A1LMNAPOLBNPC1
SCHEMBL783975 0.75 TSHR (0.40) TSHRDHODHRAB9AALDH1A1LMNA
SCHEMBL783974 0.75 TSHR (0.40) TSHRDHODHRAB9AALDH1A1LMNA
SCHEMBL785095 0.75 TSHR (0.60) TSHRDHODHRAB9AALDH1A1LMNA
SCHEMBL785096 0.75 TSHR (0.60) TSHRDHODHRAB9AALDH1A1LMNA
SCHEMBL785162 0.73 ALDH1A1 (0.57) RAB9AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 (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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 TSHR 586/4885DHODH 1180/4885RAB9A 1673/4885

“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.