SCHEMBL1095698

SCHEMBL1095698

O=C(NCc1cc(-c2ccccc2)no1)c1ccc(Cl)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
POLB P06746 2/20 0.52
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HTT P42858 3/20 0.51
JAK2 O60674 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 3/20 0.49
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
GAA P10253 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
NOTUM Q6P988 2/20 0.47
F10 P00742 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ROCK2 O75116 1/20 0.45
PRKCA P17252 1/20 0.45

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
SCHEMBL1095575 0.92 POLB (0.49) HPGDPOLBTSHRSMN1; SMN2ALDH1A1
SCHEMBL1096444 0.91 POLB (0.65) HPGDPOLBTSHRSMN1; SMN2ALDH1A1
SCHEMBL1097997 0.91 ALDH1A1 (0.49) HPGDPOLBTSHRSMN1; SMN2ALDH1A1
SCHEMBL1096148 0.90 POLB (0.52) HPGDPOLBTSHRSMN1; SMN2ALDH1A1
SCHEMBL1096369 0.90 POLB (0.54) HPGDPOLBTSHRSMN1; SMN2ALDH1A1
SCHEMBL1096424 0.89 HPGD (0.58) HPGDPOLBTSHRSMN1; SMN2ALDH1A1
SCHEMBL1096320 0.89 HPGD (0.47) HPGDPOLBTSHRSMN1; SMN2ALDH1A1
SCHEMBL1096147 0.89 ROCK2 (0.52) HPGDPOLBTSHRSMN1; SMN2ALDH1A1
SCHEMBL1101073 0.89 POLB (0.56) HPGDPOLBTSHRSMN1; SMN2ALDH1A1
SCHEMBL8277511 0.89 POLB (0.53) HPGDPOLBTSHRSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US claimed
EP-1893572-B1 FACTOR XA INHIBITORS MILLENNIUM PHARM INC (US) 2016-12-14 EP disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 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 (2 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HPGD 316/4885POLB 3172/4885TSHR 2852/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HPGD 316/4885POLB 3172/4885TSHR 2852/4885

“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.