SCHEMBL9944160

SCHEMBL9944160

CCOc1ccc(C(=O)Nc2cc(F)c(C(=O)O)c(F)c2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 2/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
MCL1 Q07820 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TAS1R3 Q7RTX0 3/20 0.54
TAS1R1 Q7RTX1 3/20 0.54
RARA P10276 2/20 0.53
RARB P10826 1/20 0.53
RARG P13631 1/20 0.53
KCNQ3 O43525 1/20 0.52
KCNQ2 O43526 1/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50

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
SCHEMBL1457730 0.85 MEN1 (0.53) MEN1KMT2APOLBLMNAGAA
SCHEMBL9944135 0.84 MEN1 (0.62) MEN1KMT2APOLBLMNAGAA
SCHEMBL9944074 0.79 MEN1 (0.56) MEN1KMT2APOLBLMNAGAA
SCHEMBL701512 0.76 TSHR (0.68) POLBLMNATAS1R3TAS1R1NPC1
SCHEMBL1457728 0.76 MEN1 (0.54) MEN1KMT2APOLBLMNAGAA
SCHEMBL6509038 0.70 TAS1R3 (0.62) KMT2ALMNAGAATDP1TAS1R3
SCHEMBL704627 0.70 TAS1R3 (1.00) TAS1R3TAS1R1SMN1; SMN2
SCHEMBL6528767 0.70 TAS1R3 (0.63) MEN1KMT2APOLBLMNATAS1R3
SCHEMBL6244283 0.70 MAPT (0.83) MEN1KMT2APOLBLMNAGAA
SCHEMBL1642727 0.70 CREBBP (0.68) MEN1KMT2APOLBTDP1TAS1R3

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 MEN1 4809/4885KMT2A 1418/4885POLB 3821/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG MEN1 4809/4885KMT2A 1418/4885POLB 3821/4885

“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.