SCHEMBL4783757

SCHEMBL4783757

CC(=O)c1ccc2c(c1)c(Nc1cccc(Cl)c1)nn2C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
ERBB2 P04626 1/20 0.51
PTK6 Q13882 1/20 0.51
MAPT P10636 6/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KDM4C Q9H3R0 1/20 0.47
CSNK2A2 P19784 4/20 0.46
CSNK2B P67870 4/20 0.46
CSNK2A1 P68400 4/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KDM1A O60341 1/20 0.46
PPARG P37231 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
HPGD P15428 3/20 0.44

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
SCHEMBL4786092 0.90 KDR (0.52) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4740878 0.85 EGFR (0.51) ERBB2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4785974 0.81 FADS1 (0.55) MAPTMEN1KMT2AKDM4CHPGD
SCHEMBL4740887 0.81 MEN1 (0.56) ERBB2PTK6MAPTMEN1KMT2A
SCHEMBL4786745 0.80 GAA (0.53) MAPTMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL4810776 0.79 MEN1 (0.43) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4739653 0.79 MEN1 (0.45) ERBB2MAPTMEN1KMT2AKDM4C
SCHEMBL4742065 0.79 FADS1 (0.59) AKR1C3AKR1C2MAPTMEN1KMT2A
SCHEMBL4804196 0.78 MAPT (0.44) ERBB2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4738611 0.77 KDM4C (0.48) MAPTMEN1KMT2ARAB9AKDM4C

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 AKR1C3 667/4885AKR1C2 1073/4885ERBB2 2032/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG AKR1C3 257/4885AKR1C2 259/4885ERBB2 3708/4885

“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.