SCHEMBL1159614

SCHEMBL1159614

N=C(c1ccc(-c2cc(CNC(=O)C3=CCC(Cl)S3)no2)cc1)N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 17/20 0.40
RAB9A P51151 17/20 0.40
POLB P06746 2/20 0.37
ATM Q13315 1/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 3/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
ROCK2 O75116 1/20 0.36
THRB P10828 1/20 0.36
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL13886960 0.99 RAB9A (0.39) NPC1RAB9APOLBATMHPGD
SCHEMBL1163039 0.86 MAPT (0.44) POLBHPGDALDH1A1TP53TSHR
SCHEMBL13887124 0.85 MAPT (0.44) HPGDALDH1A1TP53TSHRMAPT
SCHEMBL13886962 0.84 RHOC (0.41) NPC1RAB9AHPGDTP53MAPT
SCHEMBL13886881 0.83 HPGD (0.34) NPC1RAB9APOLBHPGDTSHR
SCHEMBL1097217 0.80 HPGD (0.45) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL1096827 0.79 HPGD (0.46) NPC1RAB9APOLBHPGDSMN1; SMN2
SCHEMBL13887120 0.79 RAB9A (0.39) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL13886797 0.78 EPHX2 (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL13887127 0.78 F10 (0.33) SMN1; SMN2ALDH1A1KMT2A

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 2 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 disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 NPC1 887/4885RAB9A 2543/4885POLB 3172/4885

“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.