SCHEMBL5166231

SCHEMBL5166231

N#Cc1cccc(NC(C(=O)O)c2ccccc2F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KAT6A Q92794 1/20 0.44
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNA5 P22460 1/20 0.43
GRM4 Q14833 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL14539761 0.89 PDK1 (0.43) HTTLMNAMAPTALDH1A1MEN1
SCHEMBL5166093 0.82 HTT (0.51) HTTLMNAMAPTALDH1A1MEN1
SCHEMBL2482538 0.82 GAA (0.45) LMNAMAPTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL2485774 0.80 GAA (0.44) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL1796491 0.74 KMT2A (0.51) HTTLMNAMAPTALDH1A1MEN1
SCHEMBL7406589 0.74 KMT2A (0.51) HTTLMNAMAPTALDH1A1MEN1
SCHEMBL1796490 0.74 KMT2A (0.51) HTTLMNAMAPTALDH1A1MEN1
SCHEMBL14408252 0.73 KMT2A (0.48) HTTLMNAMAPTALDH1A1MEN1
SCHEMBL5882523 0.72 MCHR1 (0.47) HTTLMNAMAPTALDH1A1MEN1
SCHEMBL5164708 0.72 FOLH1 (0.51) LMNAEEF2KCTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
EP-1351938-B1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2007-04-11 EP disclosed
EP-1351938-B1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2007-04-11 EP disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 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 (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-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 HTT 2943/4885LMNA 2132/4885MAPT 4360/4885

“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.