SCHEMBL10160169

SCHEMBL10160169

O=C(NCc1cccc(C(=O)O)c1)Nc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.74
RAB9A P51151 5/20 0.63
NPC1 O15118 4/20 0.63
KMT2A Q03164 3/20 0.63
MITF O75030 1/20 0.63
MAPK1 P28482 1/20 0.63
MEN1 O00255 2/20 0.57
POLB P06746 1/20 0.57
MAOB P27338 1/20 0.57
HTT P42858 1/20 0.57
TP53 P04637 1/20 0.57
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CASR P41180 1/20 0.56
MAPT P10636 2/20 0.55
MRGPRX4 Q96LA9 1/20 0.55
NAMPT P43490 2/20 0.54

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
SCHEMBL20379306 0.91 RAB9A (0.76) HIF1ARAB9ANPC1KMT2AMITF
SCHEMBL2704691 0.89 MAPT (0.66) HIF1ARAB9ANPC1KMT2AMEN1
SCHEMBL10160099 0.86 HIF1A (0.77) HIF1ARAB9ANPC1KMT2AMEN1
SCHEMBL31177977 0.85 HIF1A (1.00) HIF1ARAB9ANPC1KMT2AMEN1
SCHEMBL308998 0.85 ROCK2 (0.73) HIF1AKMT2AMEN1MAPTNAMPT
SCHEMBL2831462 0.84 NPC1 (0.77) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL20389088 0.83 NAMPT (0.75) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL19577671 0.82 NPC1 (0.70) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL4854629 0.82 NAMPT (0.76) HIF1ARAB9ANPC1KMT2AMEN1
SCHEMBL28566662 0.82 RAB9A (0.66) RAB9ANPC1KMT2AMEN1POLB

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-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 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-20100041645-A1 RHO KINASE INHIBITORS CIT, ROCK1, RHOT2 HIF1A 2666/4885RAB9A 214/4885NPC1 3330/4885

“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.