SCHEMBL21231491

SCHEMBL21231491

Cc1cc2ccccc2n1-c1ccc(C(=O)N2CCN(COCC3(O)CC3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ GAA P10253 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ STAT1 P42224 1/20 0.37
▸ KCNA5 P22460 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ PKLR P30613 1/20 0.37
▸ MEN1 O00255 3/20 0.36

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
SCHEMBL16150679 0.80 FASN (0.64) FASNALDH1A1MAPTRXFP1HPGD
SCHEMBL16151197 0.78 MAPT (0.49) FASNALDH1A1ALOX15MAPTRXFP1
SCHEMBL17404611 0.77 FASN (0.49) FASNALDH1A1ALOX15MAPTRXFP1
SCHEMBL16150106 0.77 KMT2A (0.52) ALDH1A1MAPTRXFP1KMT2AGAA
SCHEMBL21555271 0.77 FASN (0.45) FASNALDH1A1ALOX15MAPTRXFP1
SCHEMBL17404603 0.75 SIGMAR1 (0.54) ALDH1A1MAPTRXFP1POLBHPGD
Hydrochloric Acid SCHEMBL16149706 0.74 SIGMAR1 (0.52) ALDH1A1MAPTRXFP1POLBHPGD
SCHEMBL17404612 0.72 FASN (0.42) FASNALDH1A1MAPTRXFP1KMT2A
SCHEMBL22926218 0.70 FASN (0.51) FASNALDH1A1MAPTRXFP1TSHR
SCHEMBL1812972 0.70 HRH3 (0.56) POLBHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190241533-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2019-08-08 — — 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 (1 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-20190241533-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD FASN 1/4885ALDH1A1 1643/4885ALOX15 72/4885

“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.

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