SCHEMBL13902827

SCHEMBL13902827

Cc1cccc(C(=O)NC(CO)Cc2c[nH]c3ccccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.55
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CDK4 P11802 2/20 0.53
CCND1 P24385 2/20 0.53
ERAP2 Q6P179 1/20 0.52
ITGB2 P05107 2/20 0.51
ICAM1 P05362 2/20 0.51
ITGAL P20701 2/20 0.51
CTSL P07711 1/20 0.51
HDAC3 O15379 4/20 0.51
HDAC4 P56524 4/20 0.51
HDAC1 Q13547 4/20 0.51
HDAC7 Q8WUI4 4/20 0.51
HDAC2 Q92769 4/20 0.51
HDAC10 Q969S8 4/20 0.51
HDAC11 Q96DB2 4/20 0.51
HDAC8 Q9BY41 4/20 0.51
HDAC6 Q9UBN7 4/20 0.51

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
SCHEMBL13912823 0.89 TACR1 (0.52) TACR1MEN1KMT2ACDK4CCND1
SCHEMBL13905311 0.88 CTSL (0.57) TACR1MAPTMEN1KMT2ACDK4
SCHEMBL13902824 0.87 MEN1 (0.61) TACR1MAPTMEN1KMT2AERAP2
SCHEMBL5149228 0.87 MEN1 (0.66) MEN1KMT2ACDK4CCND1ERAP2
SCHEMBL4029961 0.87 ERAP2 (0.52) TACR1MEN1KMT2ACDK4CCND1
SCHEMBL4601988 0.85 CDK4 (0.57) TACR1CDK4CCND1ERAP2ITGB2
SCHEMBL13912824 0.85 CDK4 (0.51) TACR1MEN1KMT2ACDK4CCND1
SCHEMBL13962166 0.85 TACR1 (0.53) TACR1ERAP2ITGB2ICAM1ITGAL
SCHEMBL5149376 0.85 CDK4 (0.53) TACR1MEN1KMT2ACDK4CCND1
SCHEMBL4737661 0.84 ERAP2 (0.52) TACR1MEN1KMT2ACDK4CCND1

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-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 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-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS FSHR, GNRHR, CYP19A1 TACR1 220/4885MAPT 3935/4885MEN1 274/4885

“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.