SCHEMBL4934258

SCHEMBL4934258

Clc1cccc(Nc2cccc3c2CCCC3)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.51
FADS1 O60427 2/20 0.50
MAOB P27338 1/20 0.50
GRM5 P41594 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 2/20 0.47
EGFR P00533 2/20 0.45
MKNK1 Q9BUB5 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
PPARG P37231 1/20 0.43
RXRG P48443 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
NISCH Q9Y2I1 1/20 0.43
MEN1 O00255 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
SCHEMBL4785268 0.97 FADS1 (0.50) SHMT2FADS1MAOBGRM5ALDH1A1
SCHEMBL30505569 0.82 MEN1 (0.50) SHMT2ALDH1A1KDM4EGAAHTT
SCHEMBL3428962 0.82 MEN1 (0.50) SHMT2ALDH1A1KDM4EGAAHTT
SCHEMBL19985667 0.81 BCL2L1 (0.47) SHMT2ALDH1A1KDM4ELMNAKMT2A
SCHEMBL21625850 0.81 RAPGEF4 (0.47) SHMT2ALDH1A1HTTKMT2AEGFR
SCHEMBL12101466 0.79 MEN1 (0.56) SHMT2ALDH1A1KDM4ELMNAGAA
SCHEMBL12377131 0.78 NISCH (0.51) SHMT2ALDH1A1KDM4EGAAKMT2A
SCHEMBL19987387 0.75 BCL2L1 (0.47) ALDH1A1LMNAKMT2AEGFRNISCH
SCHEMBL10037183 0.75 GRM5 (0.50) FADS1MAOBGRM5ALDH1A1LMNA
SCHEMBL3478127 0.74 EGFR (0.53) SHMT2ALDH1A1KDM4ELMNAHTT

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 SHMT2 3368/4885FADS1 1059/4885MAOB 2494/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG SHMT2 160/4885FADS1 270/4885MAOB 522/4885

“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.