SCHEMBL31452200

SCHEMBL31452200

Cc1nc(-c2onc(C)c2NC(=O)OCc2ccccc2)ccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
LPAR1 Q92633 3/20 0.44
LPAR3 Q9UBY5 2/20 0.44
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 2/20 0.42
MAOA P21397 1/20 0.41
LPAR2 Q9HBW0 1/20 0.40
MAP3K5 Q99683 1/20 0.39
P2RX7 Q99572 1/20 0.39
ROCK2 O75116 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL30472637 0.88 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1LPAR1LPAR3
SCHEMBL4029141 0.83 LPAR1 (0.62) SMN1; SMN2RAB9ANPC1LPAR1LPAR3
SCHEMBL31452190 0.83 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1LPAR1LPAR3
SCHEMBL29154153 0.83 MAPT (0.41) SMN1; SMN2RAB9ANPC1LPAR1LPAR3
SCHEMBL343051 0.83 LPAR1 (0.56) SMN1; SMN2RAB9ANPC1LPAR1LPAR3
SCHEMBL30472665 0.82 NPC1 (0.45) SMN1; SMN2RAB9ANPC1LPAR1LPAR3
SCHEMBL30472613 0.81 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1LPAR1LPAR3
SCHEMBL25340148 0.81 LPAR1 (0.70) RAB9ALPAR1LPAR3ALDH1A1CYP2C9
SCHEMBL25340143 0.81 LPAR1 (0.70) RAB9ALPAR1LPAR3ALDH1A1CYP2C9
SCHEMBL25340863 0.78 LPAR1 (0.53) RAB9ANPC1LPAR1LPAR3ALDH1A1

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-20250066341-A1 CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2025-02-27 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-20250066341-A1 CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS LPAR1, LPAR2, LPAR3 SMN1; SMN2 4141/4885RAB9A 2476/4885NPC1 317/4885

“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.