SCHEMBL16495774

SCHEMBL16495774

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 5/20 0.45
▸ HTR2C P28335 4/20 0.45
▸ SRC P12931 4/20 0.44
▸ PRKAA2 P54646 2/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ SSTR5 P35346 1/20 0.42
▸ MLNR O43193 2/20 0.42
▸ HPGDS O60760 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ PTPN6 P29350 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ VNN1 O95497 1/20 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
SCHEMBL16495584 0.92 SRC (0.53) MCHR1HTR2CSRCPRKAA2HDAC1
SCHEMBL16496114 0.91 SSTR3 (0.45) MCHR1HTR2CSRCPRKAA2HDAC1
SCHEMBL16495915 0.91 SRC (0.51) MCHR1HTR2CSRCPRKAA2HDAC1
SCHEMBL16495666 0.89 HPGDS (0.55) MCHR1HTR2CSRCPRKAA2HDAC1
SCHEMBL16496171 0.82 HPGDS (0.53) SRCHDAC1HDAC8HDAC6MLNR
SCHEMBL16496138 0.82 SRC (0.49) MCHR1SRCPRKAA2HDAC1HDAC8
SCHEMBL16496076 0.81 HPGDS (0.54) MCHR1HTR2CSRCHDAC1HDAC8
SCHEMBL16495485 0.78 SRC (0.50) MCHR1HTR2CSRCHDAC1HDAC8
SCHEMBL16496317 0.75 HPGDS (0.56) SRCHDAC1HDAC6HPGDS
SCHEMBL16495758 0.75 HPGDS (0.54) MCHR1SRCHDAC1HDAC6HPGDS

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 MCHR1 3398/4885HTR2C 3209/4885SRC 4371/4885

“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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