SCHEMBL13210596

SCHEMBL13210596

O=C(NCCc1cccc(Cl)c1)c1ccc(C(=O)NCCc2cccc(Cl)c2)nc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.72
KMT2A Q03164 5/20 0.70
NPC1 O15118 4/20 0.70
RAB9A P51151 4/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
MEN1 O00255 4/20 0.70
GAA P10253 1/20 0.70
TRPV1 Q8NER1 1/20 0.59
HDAC3 O15379 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
MAPK1 P28482 2/20 0.58
MAPT P10636 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.55
ROCK2 O75116 1/20 0.55
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL28601917 0.84 HIF1A (1.00) HIF1AKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5216536 0.84 KMT2A (0.65) HIF1AKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13210645 0.83 ROCK2 (0.55) HIF1AKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13210639 0.83 RAB9A (0.64) HIF1AKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1330200 0.81 NPC1 (0.58) HIF1AKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1331796 0.81 RAB9A (0.64) HIF1AKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8218590 0.81 NPC1 (0.71) HIF1AKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL937744 0.81 HIF1A (0.63) HIF1AKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3961413 0.80 KMT2A (0.67) HIF1AKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1330392 0.79 RAB9A (0.60) HIF1AKMT2ANPC1RAB9ASMN1; SMN2

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-20100204219-A1 AROMATIC 1,4-DI-CARBOXYLAMIDES AND THEIR USE THE GENETICS COMPANY, INC. (CH) 2010-08-12 US disclosed
US-20100204219-A1 AROMATIC 1,4-DI-CARBOXYLAMIDES AND THEIR USE THE GENETICS COMPANY, INC. (CH) 2010-08-12 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-20100204219-A1 AROMATIC 1,4-DI-CARBOXYLAMIDES AND THEIR USE CBR3, CYCS, CYC1 HIF1A 1829/4885KMT2A 2067/4885NPC1 1471/4885

“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.