SCHEMBL5152234

SCHEMBL5152234

O=C(NC(CO)Cc1c[nH]c2ccc(F)cc12)c1cccc(-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.52
CCND1 P24385 2/20 0.52
ITGB2 P05107 3/20 0.52
ICAM1 P05362 3/20 0.52
ITGAL P20701 3/20 0.52
SNCA P37840 3/20 0.51
TSHR P16473 1/20 0.47
HPGDS O60760 1/20 0.47
ANO1 Q5XXA6 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ICMT O60725 1/20 0.46
SCN9A Q15858 2/20 0.45
CCKBR P32239 1/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL5149333 0.83 CDK4 (0.53) CDK4CCND1ITGB2ICAM1ITGAL
SCHEMBL4601988 0.82 CDK4 (0.57) CDK4CCND1ITGB2ICAM1ITGAL
SCHEMBL14557962 0.82 ITGB2 (0.45) ITGB2ICAM1ITGALSNCAICMT
SCHEMBL5152497 0.79 HDAC3 (0.51) CDK4CCND1ITGB2ICAM1ITGAL
SCHEMBL13902824 0.79 MEN1 (0.61) ITGB2ICAM1ITGALTSHRERAP2
SCHEMBL5149376 0.79 CDK4 (0.53) CDK4CCND1ITGB2ICAM1ITGAL
SCHEMBL14557959 0.79 PPARG (0.42) ITGB2ICAM1ITGALSNCAANO1
SCHEMBL14557932 0.78 SCN9A (0.41) ITGB2ICAM1ITGALSNCATSHR
SCHEMBL4601301 0.78 KMT2A (0.58) CDK4CCND1HPGDSERAP2HDAC3
SCHEMBL5152158 0.78 KMT2A (0.58) CDK4CCND1HPGDSERAP2HDAC3

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-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R CDK4 4400/4885CCND1 592/4885ITGB2 4080/4885

“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.