SCHEMBL9944145

SCHEMBL9944145

COc1c(C)cc(C(=O)Nc2ccc(C(=O)O)cn2)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
RAB9A P51151 2/20 0.67
NPC1 O15118 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
ALOX15 P16050 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HCAR3 P49019 1/20 0.53
GCK P35557 13/20 0.52
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
TAS1R2 Q8TE23 2/20 0.50
RARA P10276 2/20 0.48
RARB P10826 2/20 0.48
RARG P13631 1/20 0.48

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
SCHEMBL9944094 0.85 HCAR3 (0.58) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL1457753 0.84 MEN1 (0.61) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL1459281 0.83 RAB9A (0.62) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL9944136 0.82 TAS1R3 (0.65) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL1457820 0.82 MEN1 (0.70) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL12825331 0.80 HCAR3 (0.64) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL5239506 0.77 HCAR3 (0.68) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL9944147 0.77 TAS1R3 (0.58) MEN1KMT2ARAB9ANPC1CYP1A2
SCHEMBL21880315 0.76 TPMT (0.69) MEN1KMT2AALOX15TAS1R3TAS1R1
SCHEMBL9944138 0.76 TAS1R3 (0.57) MEN1KMT2ARAB9ANPC1TP53

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 1418/4885RAB9A 271/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG MEN1 4809/4885KMT2A 1418/4885RAB9A 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.