SCHEMBL4872760

SCHEMBL4872760

O=C(CSc1nc(-c2ccncc2)co1)Nc1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.56
MAPT P10636 6/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
KMT2A Q03164 6/20 0.52
KDM4E B2RXH2 2/20 0.51
GBA1 P04062 1/20 0.51
MEN1 O00255 4/20 0.50
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL4872235 0.80 MEN1 (0.67) TACR1MAPTNPC1RAB9AKMT2A
SCHEMBL4874741 0.80 MAPT (0.81) MAPTNPC1RAB9AKMT2AKDM4E
SCHEMBL4872272 0.79 TACR1 (0.54) TACR1MAPTNPC1RAB9AKMT2A
SCHEMBL8320877 0.75 POLB (0.57) TACR1MAPTNPC1RAB9AKMT2A
SCHEMBL4864377 0.74 PKM (0.76) TACR1MAPTKMT2AKDM4EMEN1
SCHEMBL4865829 0.73 TACR1 (0.57) TACR1MAPTKMT2AKDM4EGBA1
SCHEMBL10016440 0.71 RAB9A (0.80) MAPTNPC1RAB9AKMT2AKDM4E
SCHEMBL10016416 0.70 RAB9A (1.00) MAPTNPC1RAB9AKMT2AKDM4E
SCHEMBL11704645 0.69 POLB (0.70) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL4873966 0.67 ROCK2 (0.64) MAPTKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US claimed
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
EP-1581222-A2 COMPOSITIONS AND METHODS FOR INHIBITING TGF-&bgr; MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-05 EP disclosed
US-20040157861-A1 Compositions and methods for inhibiting TGF-beta MILLENNIUM PHARMACEUTICALS, INC. 2004-08-12 US disclosed
WO-2004060362-A2 COMPOSITIONS AND METHODS FOR INHIBITING TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-22 WO disclosed
WO-2004060362-A2 COMPOSITIONS AND METHODS FOR INHIBITING TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-22 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-20040157861-A1 Compositions and methods for inhibiting TGF-beta TGFB1, TGFB2, TGFBR1 TACR1 3454/4885MAPT 3300/4885NPC1 2130/4885

“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.