SCHEMBL4872235

SCHEMBL4872235

O=C(CSc1nc(-c2ccncc2)cs1)Nc1cccc(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
MAPT P10636 5/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
LMNA P02545 3/20 0.67
MAPK1 P28482 2/20 0.67
ALDH1A1 P00352 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.59
KDM4E B2RXH2 2/20 0.56
GBA1 P04062 1/20 0.56
POLB P06746 2/20 0.55
TACR1 P25103 1/20 0.55
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50

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
SCHEMBL29181055 0.86 BLM (0.61) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL30833309 0.86 BLM (0.61) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL4864377 0.81 PKM (0.76) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL4872272 0.80 TACR1 (0.54) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4872760 0.80 TACR1 (0.56) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL8320877 0.78 POLB (0.57) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL4874741 0.74 MAPT (0.81) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3174823 0.73 MEN1 (0.80) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL4865829 0.72 TACR1 (0.57) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1885179 0.70 MEN1 (0.77) MEN1KMT2AMAPTSMN1; SMN2MAPK1

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 MEN1 1961/4885KMT2A 4237/4885MAPT 3300/4885

“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.