SCHEMBL3556531

SCHEMBL3556531

COc1cccc(C([NH])=O)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 3/20 0.51
ALDH1A1 P00352 4/20 0.50
GAA P10253 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.49
HTT P42858 1/20 0.49
CNR2 P34972 1/20 0.49
NFE2L2 Q16236 1/20 0.49
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL3762150 0.84 RAB9A (0.55) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL152563 0.82 MAPT (0.59) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL6964175 0.82 RAB9A (0.58) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL29603325 0.82 MAPT (0.59) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL341046 0.82 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL29931828 0.82 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3514520 0.82 MAPT (0.55) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL894748 0.82 STAT3 (0.59) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL28656894 0.81 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL261504 0.81 MAPT (0.56) NPC1RAB9ASMN1; SMN2TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696365-B2 Heterocyclic compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-04-13 US claimed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US claimed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US disclosed
US-4434170-A NEUROLEPTIC AGENTS, ANTIEMETICS, LAXATIVES DELALANDE S.A. (FR) 1984-02-28 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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS GLP1R, GIPR, IAPP NPC1 2647/4885RAB9A 1699/4885SMN1; SMN2 1582/4885

“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.