SCHEMBL4785974

SCHEMBL4785974

Cn1nc(Nc2cccc(Cl)c2)c2cc(F)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 5/20 0.55
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
HSP90AA1 P07900 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TP53 P04637 1/20 0.45
SYK P43405 1/20 0.43
GAA P10253 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
TTBK1 Q5TCY1 1/20 0.42
TTBK2 Q6IQ55 1/20 0.42

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
SCHEMBL4738611 0.91 KDM4C (0.48) FADS1MAPTMEN1KMT2AKDM4E
SCHEMBL4740878 0.89 EGFR (0.51) FADS1MAPTMEN1KMT2AKDM4E
SCHEMBL4740887 0.85 MEN1 (0.56) FADS1MAPTMEN1KMT2AKDM4E
SCHEMBL4786745 0.84 GAA (0.53) FADS1MAPTMEN1KMT2AKDM4E
SCHEMBL4739653 0.82 MEN1 (0.45) FADS1MAPTMEN1KMT2AKDM4E
SCHEMBL4742065 0.82 FADS1 (0.59) FADS1MAPTMEN1KMT2AKDM4E
SCHEMBL4804196 0.81 MAPT (0.44) FADS1MAPTMEN1KMT2AKDM4E
SCHEMBL4810776 0.81 MEN1 (0.43) FADS1MAPTMEN1KMT2AKDM4E
SCHEMBL4783757 0.81 AKR1C3 (0.51) MAPTMEN1KMT2AKDM4ECYP1A2
SCHEMBL4786092 0.80 KDR (0.52) MAPTMEN1KMT2AKDM4ECYP1A2

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-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

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 FADS1 1059/4885MAPT 1069/4885MEN1 3245/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG FADS1 270/4885MAPT 2635/4885MEN1 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.