SCHEMBL5934142

SCHEMBL5934142

COc1ccc(-c2ccc(C(=O)Nc3cccc(OC)c3)cn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.70
RAB9A P51151 6/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
KMT2A Q03164 2/20 0.70
TP53 P04637 2/20 0.70
ALDH1A1 P00352 1/20 0.70
PKM P14618 1/20 0.70
TRPV1 Q8NER1 1/20 0.64
TSHR P16473 1/20 0.61
RXFP1 Q9HBX9 2/20 0.60
KDM4E B2RXH2 1/20 0.59
HPGD P15428 1/20 0.59
NLRP3 Q96P20 1/20 0.59
KCNK9 Q9NPC2 1/20 0.57
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL5934206 0.93 TRPV1 (0.61) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL5934344 0.93 TRPV1 (0.71) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL5934465 0.90 ROCK2 (0.58) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL5934845 0.87 KCNK3 (0.60) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL5934235 0.86 TRPV1 (0.59) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL5934164 0.86 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL5934518 0.86 PLK1 (0.55) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL5934558 0.86 NPC1 (0.63) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL16495372 0.86 TRPV1 (0.64) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL5934638 0.85 TRPV1 (0.58) NPC1RAB9ASMN1; SMN2KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060100245-A1 Substituted biphenyl-4-carboxylic acid arylamide analogues NEUROGEN CORPORATION (US) 2006-05-11 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-20060100245-A1 Substituted biphenyl-4-carboxylic acid arylamide analogues HCAR2, AHR, HCAR3 NPC1 3100/4885RAB9A 1747/4885SMN1; SMN2 1592/4885

“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.