SCHEMBL4785908

SCHEMBL4785908

Cn1nc(Nc2cccc(Cl)c2)c2cccnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ABCG2 Q9UNQ0 2/20 0.49
GRM4 Q14833 2/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
FADS1 O60427 5/20 0.48
EGFR P00533 3/20 0.48
KDM5A P29375 1/20 0.47

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
SCHEMBL4787234 0.84 KDM4E (0.53) HPGDKDM4EMEN1CYP1A2POLB
SCHEMBL4786745 0.80 GAA (0.53) HPGDKDM4EMEN1CYP1A2POLB
SCHEMBL4740878 0.77 EGFR (0.51) HPGDKDM4EMEN1CYP1A2POLB
SCHEMBL4786441 0.75 MEN1 (0.48) HPGDKDM4EMEN1CYP1A2POLB
SCHEMBL31298603 0.73 KDM5A (0.44) HPGDKDM4EMEN1HSP90AA1MAPT
SCHEMBL3955863 0.73 NPC1 (0.66) HPGDMEN1KMT2AABCG2GRM4
SCHEMBL4052839 0.73 KDM4E (0.75) HPGDKDM4EMEN1CYP1A2POLB
SCHEMBL4785974 0.73 FADS1 (0.55) HPGDKDM4EMEN1CYP1A2POLB
SCHEMBL4740887 0.73 MEN1 (0.56) HPGDKDM4EMEN1CYP1A2POLB
SCHEMBL4784393 0.71 FADS1 (0.66) HPGDABCG2GRM4NPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
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-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO 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

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-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 HPGD 391/4885KDM4E 4283/4885MEN1 3245/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG HPGD 550/4885KDM4E 3229/4885MEN1 1919/4885

“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.