SCHEMBL18179202

SCHEMBL18179202

Cc1nc(Cl)c(-c2cc(C(=O)O)c(C)cc2C)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 5/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ GABRA4 P48169 1/20 0.37
▸ GABRE P78334 1/20 0.37
▸ GABRA6 Q16445 1/20 0.37
▸ GABRG1 Q8N1C3 1/20 0.37
▸ GABRG3 Q99928 1/20 0.37
▸ GABRQ Q9UN88 1/20 0.37

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
SCHEMBL15555849 0.85 FASN (0.39) FASNALDH1A1SMN1; SMN2GABRPGABRD
SCHEMBL15555005 0.83 FASN (0.42) FASNALDH1A1MAPK1SMN1; SMN2GABRP
SCHEMBL15601515 0.81 TDP1 (0.49) FASNALDH1A1MAPK1SMN1; SMN2HSP90AA1
SCHEMBL15555536 0.77 FASN (0.38) FASNALDH1A1MAPK1SMN1; SMN2GABRP
SCHEMBL15601500 0.72 IL2 (0.41) ALDH1A1MAPK1SMN1; SMN2TDP1KDM4E
SCHEMBL15555449 0.72 FASN (0.47) FASNGABRPGABRDGABRA1GABRB1
SCHEMBL15554537 0.71 FASN (0.43) FASNALDH1A1GABRPGABRDGABRA1
SCHEMBL15555224 0.71 FASN (0.42) FASNALDH1A1GABRPGABRDGABRA1
SCHEMBL8741461 0.71 DHODH (0.51) DHODH
SCHEMBL24427491 0.71 ALAD (0.49) ALDH1A1MAPK1SMN1; SMN2HSP90AA1ESR2

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-20160311803-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2016-10-27 — — US disclosed
US-20160311803-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2016-10-27 — — 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-20160311803-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 FASN 1/4885ALDH1A1 879/4885MAPK1 2211/4885

“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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