SCHEMBL9944148

SCHEMBL9944148

CCOc1c(C)cc(C(=O)Nc2ccc(C(=O)O)c(F)c2)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.58
NPC1 O15118 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 3/20 0.55
HPGD P15428 2/20 0.55
LMNA P02545 2/20 0.55
GAA P10253 2/20 0.55
ABL1 P00519 1/20 0.55
RIN1 Q13671 1/20 0.55
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RARA P10276 1/20 0.46

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
SCHEMBL1457720 0.93 MEN1 (0.66) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL9944204 0.93 RAB9A (0.54) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL9944139 0.90 RAB9A (0.61) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL9944146 0.88 TAS1R3 (0.54) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL9944151 0.87 MAPT (0.53) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL1458196 0.87 RAB9A (0.55) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL9944097 0.86 PLAU (0.47) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL1458215 0.86 RAB9A (0.54) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL9944074 0.86 MEN1 (0.56) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL9944190 0.85 MEN1 (0.61) RAB9ANPC1MEN1KMT2AALDH1A1

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 RAB9A 271/4885NPC1 277/4885MEN1 4809/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG RAB9A 271/4885NPC1 277/4885MEN1 4809/4885

“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.