SCHEMBL9944085

SCHEMBL9944085

Cc1cc(C(=O)Nc2ccc(C(=O)O)cc2)cc(Br)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
PKM P14618 1/20 0.50
MITF O75030 1/20 0.50
CPT2 P23786 1/20 0.49
CPT1A P50416 1/20 0.49
CPT1B Q92523 1/20 0.49
P4HTM Q9NXG6 1/20 0.49
FFAR1 O14842 1/20 0.49
POLB P06746 2/20 0.48
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
PTGER4 P35408 1/20 0.47
CYP26A1 O43174 2/20 0.47
CYP3A4 P08684 2/20 0.47
RARA P10276 2/20 0.47

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
SCHEMBL9944099 0.87 RAB9A (0.50) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL9944115 0.86 KMT2A (0.58) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL9944079 0.82 KMT2A (0.54) NPC1RAB9AKMT2AMEN1PKM
SCHEMBL12825037 0.81 MEN1 (0.60) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL9944100 0.81 RARA (0.52) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL9944087 0.81 RAB9A (0.52) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL9944137 0.80 MAPT (0.60) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL14291460 0.80 KMT2A (0.69) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL30182470 0.79 RAB9A (0.60) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6242641 0.79 MEN1 (0.81) NPC1RAB9AKMT2AMEN1PKM

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 NPC1 277/4885RAB9A 271/4885SMN1; SMN2 696/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG NPC1 277/4885RAB9A 271/4885SMN1; SMN2 696/4885

“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.