SCHEMBL3748679

SCHEMBL3748679

Cc1[c]cc(C(N)=O)c2nc(N(C)CCN(C)C)sc12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 4/20 0.34
HTR2C P28335 1/20 0.33
SYK P43405 1/20 0.32
MAPT P10636 4/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RAB9A P51151 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
PARP3 Q9Y6F1 1/20 0.31
MITF O75030 1/20 0.31

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
SCHEMBL3752317 0.78 HTR2C (0.39) RAD52HTR2CSYKMAPTKDM4E
SCHEMBL4336454 0.72 MAPT (0.54) RAD52HTR2CMAPTKDM4EHTT
SCHEMBL4643599 0.71 MAPT (0.37) RAD52HTR2CMAPTKDM4EHTT
SCHEMBL3744443 0.68 THRB (0.35) RAD52MEN1KMT2APARP1
SCHEMBL3748594 0.64 PIM1 (0.35) RAD52MAPTKDM4EALDH1A1MEN1
SCHEMBL3753729 0.63 LMNA (0.36) RAB9APARP1PARP2
SCHEMBL3759067 0.62 LMNA (0.38) RAB9APARP1
SCHEMBL3750058 0.60 PARP14 (0.34) HTR2CMAPTKDM4EHTTNPSR1
SCHEMBL3741873 0.60 HRH3 (0.38) MAPTKDM4EHTTNPSR1MEN1
SCHEMBL3748869 0.59 PARP14 (0.36) SYKPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US disclosed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP 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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R RAD52 4383/4885HTR2C 185/4885SYK 3498/4885

“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.