SCHEMBL4784161

SCHEMBL4784161

COc1ccc2[nH]nc(NC(=O)c3ccc(Cl)cc3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.58
CDK7 P50613 4/20 0.57
FADS1 O60427 1/20 0.55
FLT3 P36888 4/20 0.53
CDC7 O00311 3/20 0.53
DAPK3 O43293 3/20 0.53
PAK4 O96013 3/20 0.53
CDK2 P24941 3/20 0.53
CLK2 P49760 3/20 0.53
PRKX P51817 3/20 0.53
CDK5 Q00535 3/20 0.53
DYRK1A Q13627 3/20 0.53
MELK Q14680 3/20 0.53
HIPK2 Q9H2X6 3/20 0.53
STK17A Q9UEE5 3/20 0.53
CSNK1A1 P48729 2/20 0.53
CDK9 P50750 2/20 0.53
MAP4K5 Q9Y4K4 2/20 0.53
PDGFRB P09619 2/20 0.52
FGFR1 P11362 2/20 0.52

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
SCHEMBL18812669 0.80 HDAC6 (0.57) HDAC6CDK7FLT3CDK2MAPT
SCHEMBL1461452 0.78 HDAC6 (0.75) HDAC6FGFR1GSK3B
SCHEMBL628194 0.78 HDAC6 (0.64) HDAC6CDK7FLT3CDC7DAPK3
SCHEMBL4448025 0.76 CDK7 (0.62) HDAC6CDK7FLT3CDC7DAPK3
SCHEMBL4738870 0.76 FADS1 (0.55) FADS1CDC7CDK5KDRGSK3A
SCHEMBL758654 0.76 CDK7 (0.58) HDAC6CDK7FLT3CDC7DAPK3
SCHEMBL2480608 0.76 FLT3 (0.59) CDK7FLT3CDC7DAPK3PAK4
SCHEMBL2482107 0.76 FLT3 (0.59) CDK7FLT3CDC7DAPK3PAK4
SCHEMBL1179557 0.76 CDK7 (0.59) HDAC6CDK7FLT3CDC7DAPK3
SCHEMBL2411577 0.76 RAB9A (0.49) HDAC6FLT3PDGFRBFGFR1KDR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC BUCK INST RES AGING (US) 2024-07-04 US disclosed
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders LEXICON PHARMACEUTICALS, INC. 2008-08-21 US disclosed
US-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer LEXICON PHARMACEUTICALS, INC. 2008-08-14 US disclosed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO 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 (3 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-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 HDAC6 301/4885CDK7 2490/4885FADS1 1059/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL HDAC6 3958/4885CDK7 2224/4885FADS1 192/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG HDAC6 1405/4885CDK7 3545/4885FADS1 270/4885

“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.