SCHEMBL4162832

SCHEMBL4162832

COC(=O)C(C)(NC(=O)c1cc(-c2ccc(OC)c(OC)c2)ccc1OC(C)C)C(c1c[nH]c2ccccc12)C(CO)(Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.40
MEN1 O00255 6/20 0.40
MAPT P10636 5/20 0.40
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TACR1 P25103 1/20 0.40
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGS2 P35354 1/20 0.35
HTR6 P50406 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL13904514 0.82 KMT2A (0.47) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL4058929 0.82 TACR1 (0.50) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL13948961 0.75 CDK4 (0.46) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL14557766 0.74 KMT2A (0.55) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL14007422 0.73 KMT2A (0.53) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL3945894 0.72 ITGB2 (0.42) KMT2AMEN1TACR1
SCHEMBL3949175 0.71 ITGB2 (0.45) KMT2AMEN1MAPTKDM4ETACR1
SCHEMBL13904510 0.71 ITGB2 (0.43) KMT2AMEN1TACR1CYP2D6
SCHEMBL3954804 0.71 ITGB2 (0.42) KMT2AMEN1MAPTSMN1; SMN2TACR1
SCHEMBL3948576 0.71 ITGB2 (0.43) KMT2AMEN1MAPTKDM4ETACR1

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-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-12 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-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 KMT2A 1156/4885MEN1 260/4885MAPT 4259/4885

“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.