SCHEMBL9944094

SCHEMBL9944094

Cc1cc(C(=O)Nc2ccc(C(=O)O)cn2)cc(Cl)c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.58
RAB9A P51151 4/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
GCK P35557 12/20 0.52
RARA P10276 1/20 0.52
RARB P10826 1/20 0.52
RARG P13631 1/20 0.52
TP53 P04637 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
NPC1 O15118 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 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
SCHEMBL9944145 0.85 MEN1 (0.67) HCAR3RAB9AMEN1KMT2AGCK
SCHEMBL12825331 0.84 HCAR3 (0.64) HCAR3RAB9AMEN1KMT2AGCK
SCHEMBL5239506 0.81 HCAR3 (0.68) HCAR3RAB9AMEN1KMT2AGCK
SCHEMBL1459281 0.80 RAB9A (0.62) HCAR3RAB9AMEN1KMT2AGCK
SCHEMBL9944079 0.80 KMT2A (0.54) RAB9AMEN1KMT2ARARARARB
SCHEMBL5235679 0.78 RAB9A (0.60) HCAR3RAB9AMEN1KMT2AGCK
SCHEMBL31586570 0.77 KDM4E (0.61) HCAR3RAB9AMEN1KMT2AGCK
SCHEMBL22871264 0.77 KDM4E (0.61) HCAR3RAB9AMEN1KMT2AGCK
SCHEMBL20601797 0.77 HCAR3 (0.58) HCAR3RAB9AGCKTP53SMN1; SMN2
SCHEMBL31585769 0.77 HCAR3 (0.58) HCAR3RAB9AGCKTP53SMN1; SMN2

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 HCAR3 286/4885RAB9A 271/4885MEN1 4809/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG HCAR3 286/4885RAB9A 271/4885MEN1 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.