SCHEMBL5149341

SCHEMBL5149341

CCCOc1ccc(-c2csc3ccccc23)cc1C(=O)NC(CO)[C@H](C)c1c[nH]c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.35
PTP4A3 O75365 1/20 0.34
KCNB1 Q14721 1/20 0.34
SSTR2 P30874 4/20 0.33
SERPINE1 P05121 1/20 0.33
HDAC2 Q92769 1/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTPN11 Q06124 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33

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
SCHEMBL5149344 1.00 MEN1 (0.36) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL5151996 0.86 JAK2 (0.36) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL5152001 0.86 JAK2 (0.36) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL4601635 0.85 ECE1 (0.44) MEN1KMT2AMAPTKDM4EHDAC2
SCHEMBL5155663 0.83 MEN1 (0.36) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL5155669 0.83 MEN1 (0.36) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL5151040 0.83 ITGB2 (0.41) MEN1KMT2AMAPTALDH1A1PTPN11
SCHEMBL5150982 0.81 MEN1 (0.35) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL5150988 0.81 MEN1 (0.35) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL5149327 0.81 MEN1 (0.37) MEN1KMT2AMAPTKDM4ESSTR2

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-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
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 MEN1 410/4885KMT2A 916/4885MAPT 4047/4885

“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.