SCHEMBL4933191

SCHEMBL4933191

Clc1cccc(Nc2nccc3ccccc23)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.64
FADS1 O60427 5/20 0.62
EGFR P00533 4/20 0.61
LCK P06239 1/20 0.59
ABCG2 Q9UNQ0 2/20 0.54
PDE5A O76074 3/20 0.53
KDM4E B2RXH2 2/20 0.52
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
HTR3A P46098 1/20 0.51
ROCK1 Q13464 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TTBK1 Q5TCY1 1/20 0.51
TTBK2 Q6IQ55 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL7127641 0.83 AHR (0.58) TNFEGFRKDM4EMEN1KMT2A
SCHEMBL31098966 0.83 TNF (0.57) TNFEGFRABCG2PDE5AMEN1
SCHEMBL1921849 0.82 ABCG2 (0.53) EGFRABCG2PDE5AKDM4EROCK1
SCHEMBL20356686 0.82 EGFR (0.61) TNFEGFRABCG2KDM4EKMT2A
SCHEMBL26789989 0.82 TNF (0.64) TNFEGFRABCG2
SCHEMBL4738590 0.81 EGFR (0.64) EGFRABCG2ERBB2PTK6
SCHEMBL4741370 0.81 GRM4 (0.50) TNFFADS1EGFRLCKABCG2
SCHEMBL3377751 0.81 GRM4 (0.59) TNFFADS1EGFRABCG2HTR3E
SCHEMBL4741984 0.80 EGFR (0.58) TNFFADS1EGFRLCKABCG2
SCHEMBL31098967 0.78 ABCG2 (0.64) TNFEGFRABCG2PDE5AROCK1

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 2 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

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 TNF 1/4885FADS1 1059/4885EGFR 1259/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG TNF 790/4885FADS1 270/4885EGFR 3860/4885

“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.