SCHEMBL16496114

SCHEMBL16496114

O=C(NC1CCN(Cc2ccc(Cl)c(Cl)c2)C1=O)c1ccc(-c2ccc(F)cc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 2/20 0.45
▸ MCHR1 Q99705 4/20 0.44
▸ HTR2C P28335 3/20 0.44
▸ SSTR5 P35346 1/20 0.42
▸ CXCR2 P25025 1/20 0.42
▸ SRC P12931 2/20 0.42
▸ PRKAA2 P54646 2/20 0.41
▸ HPGDS O60760 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TPSAB1 Q15661 1/20 0.41
▸ TPSD1 Q9BZJ3 1/20 0.41
▸ TPSG1 Q9NRR2 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ MLNR O43193 2/20 0.40

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
SCHEMBL16496138 0.91 SRC (0.49) MCHR1SRCPRKAA2HPGDSMEN1
SCHEMBL16495774 0.91 MCHR1 (0.45) MCHR1HTR2CSSTR5SRCPRKAA2
SCHEMBL16496171 0.91 HPGDS (0.53) SRCHPGDSMEN1KMT2ATPSAB1
SCHEMBL16495584 0.89 SRC (0.53) SSTR3MCHR1HTR2CSSTR5SRC
SCHEMBL16495758 0.84 HPGDS (0.54) SSTR3MCHR1SRCHPGDSTPSAB1
SCHEMBL16495666 0.83 HPGDS (0.55) MCHR1HTR2CSRCPRKAA2HPGDS
SCHEMBL16495915 0.82 SRC (0.51) MCHR1HTR2CSRCPRKAA2HPGDS
SCHEMBL16496076 0.80 HPGDS (0.54) MCHR1HTR2CSRCHPGDSTPSAB1
SCHEMBL16495485 0.77 SRC (0.50) MCHR1HTR2CSRCHPGDSTPSAB1
SCHEMBL16495656 0.75 HPGDS (0.56) SSTR3MCHR1HTR2CCXCR2PRKAA2

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-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 — — 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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 SSTR3 4615/4885MCHR1 3398/4885HTR2C 3209/4885

“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.

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