SCHEMBL16495666

SCHEMBL16495666

O=C(NC1CCN(Cc2ccc(Cl)cc2)C1=O)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.55
▸ MLNR O43193 5/20 0.45
▸ SRC P12931 2/20 0.44
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ CCR2 P41597 1/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ MCHR1 Q99705 2/20 0.41
▸ PRKAA2 P54646 1/20 0.41
▸ WNT3A P56704 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
SCHEMBL16496171 0.93 HPGDS (0.53) HPGDSMLNRSRCDRD2DRD4
SCHEMBL16496076 0.92 HPGDS (0.54) HPGDSMLNRSRCDRD2DRD4
SCHEMBL16495774 0.89 MCHR1 (0.45) HPGDSMLNRSRCHDAC1HDAC8
SCHEMBL16495915 0.89 SRC (0.51) HPGDSSRCDRD2DRD4HDAC1
SCHEMBL16495485 0.84 SRC (0.50) HPGDSSRCDRD2DRD4HDAC1
SCHEMBL1364946 0.83 DRD4 (0.43) HPGDSSRCDRD2DRD4HDAC1
SCHEMBL2070489 0.83 HPGDS (0.73) HPGDSDRD2DRD4CCR2MCHR1
SCHEMBL16496114 0.83 SSTR3 (0.45) HPGDSMLNRSRCHDAC1HDAC8
SCHEMBL16496138 0.82 SRC (0.49) HPGDSSRCDRD2DRD4HDAC1
SCHEMBL16495584 0.81 SRC (0.53) HPGDSMLNRSRCHDAC1HDAC8

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 HPGDS 1073/4885MLNR 1678/4885SRC 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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