SCHEMBL9944252

SCHEMBL9944252

CC(=O)c1ccc(NC(=O)c2cc(OC(C)C)c(Cl)c(OC(C)C)c2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.50
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 3/20 0.47
TP53 P04637 1/20 0.47
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
MAPT P10636 3/20 0.46
MAPK1 P28482 1/20 0.46
TOP1 P11387 3/20 0.46
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
FKBP5 Q13451 1/20 0.44
TOP2A P11388 1/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL9944245 0.94 RORC (0.50) RORCNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1457804 0.91 NPC1 (0.47) RORCNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1458181 0.90 MAPT (0.50) RORCNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9944193 0.88 RORC (0.49) RORCNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9944244 0.88 RAB9A (0.47) RORCNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9944248 0.87 RORC (0.51) RORCNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9944209 0.86 TAS1R3 (0.52) RORCNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1458469 0.86 NPC1 (0.47) RORCNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9944164 0.85 PLAU (0.49) RORCNPC1RAB9ASMN1; SMN2TP53
SCHEMBL1457743 0.85 MAPT (0.47) RORCNPC1RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 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 (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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG RORC 10/4885NPC1 277/4885RAB9A 271/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG RORC 10/4885NPC1 277/4885RAB9A 271/4885

“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.