SCHEMBL4743514

SCHEMBL4743514

O=C(O)c1ccccc1-c1cn2ccsc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP19A1 P11511 1/20 0.53
TP53 P04637 8/20 0.49
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 2/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
NPC1 O15118 7/20 0.49
SMN1; SMN2 Q16637 7/20 0.49
LMNA P02545 2/20 0.47
TSHR P16473 5/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 1/20 0.46
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
DHODH Q02127 1/20 0.45
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL3637351 0.82 CYP19A1 (0.71) RAB9AKDM4ECYP19A1TP53ALDH1A1
SCHEMBL4939872 0.81 MAPT (0.48) RAB9AKDM4ECYP19A1TP53ALDH1A1
SCHEMBL219596 0.78 TP53 (0.57) RAB9ACYP19A1TP53ALDH1A1HSD17B10
SCHEMBL2496897 0.77 TP53 (0.68) RAB9ACYP19A1TP53ALDH1A1HSD17B10
SCHEMBL7054988 0.74 TP53 (0.63) RAB9AKDM4ECYP19A1TP53ALDH1A1
SCHEMBL4936437 0.72 TP53 (0.50) RAB9AKDM4ETP53ALDH1A1NPC1
SCHEMBL24449150 0.72 SMN1; SMN2 (0.48) RAB9AKDM4ECYP19A1TP53ALDH1A1
SCHEMBL10282604 0.71 CYP19A1 (0.50) RAB9AKDM4ECYP19A1TP53ALDH1A1
SCHEMBL10291705 0.71 CYP19A1 (0.50) RAB9AKDM4ECYP19A1TP53ALDH1A1
SCHEMBL13253699 0.70 TP53 (0.49) RAB9ACYP19A1TP53ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
WO-2008100423-A1 GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
WO-2008100423-A1 GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-08-21 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-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors MTTP, CETP, FABP2 RAB9A 2515/4885KDM4E 2386/4885CYP19A1 333/4885

“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.