SCHEMBL4874741

SCHEMBL4874741

O=C(CSc1nnc(-c2ccncc2)o1)Nc1cccc(Cl)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.81
NPC1 O15118 7/20 0.75
RAB9A P51151 7/20 0.75
SMN1; SMN2 Q16637 3/20 0.75
KMT2A Q03164 3/20 0.75
MEN1 O00255 2/20 0.75
KDM4E B2RXH2 1/20 0.75
USP2 O75604 1/20 0.75
CA12 O43570 1/20 0.74
CA1 P00915 1/20 0.74
CA2 P00918 1/20 0.74
CA9 Q16790 1/20 0.74
ALDH1A1 P00352 1/20 0.69
CYP2C9 P11712 1/20 0.67
PKM P14618 1/20 0.66
NPSR1 Q6W5P4 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.62
POLB P06746 1/20 0.62
HSP90AA1 P07900 1/20 0.61
HTT P42858 1/20 0.61

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
SCHEMBL10016440 0.89 RAB9A (0.80) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL10016416 0.83 RAB9A (1.00) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL16197523 0.80 ALDH1A1 (0.81) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL30778385 0.80 MAPT (0.80) MAPTNPC1RAB9ACA12CA1
SCHEMBL4872760 0.80 TACR1 (0.56) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL15986484 0.80 CYP2C9 (0.78) MAPTRAB9ASMN1; SMN2ALDH1A1CYP2C9
SCHEMBL10016423 0.77 NPC1 (1.00) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4864377 0.77 PKM (0.76) MAPTSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL17689578 0.76 MAPT (0.77) MAPTNPC1RAB9ASMN1; SMN2CA12
SCHEMBL10016414 0.75 TP53 (1.00) MAPTNPC1RAB9AUSP2CA12

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 7 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 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 MAPT 3300/4885NPC1 2130/4885RAB9A 3795/4885

“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.