SCHEMBL16495656

SCHEMBL16495656

O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccc(F)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.56
▸ CXCR2 P25025 1/20 0.52
▸ MCHR1 Q99705 3/20 0.52
▸ HTR2C P28335 2/20 0.52
▸ PRKAA2 P54646 1/20 0.52
▸ SSTR3 P32745 3/20 0.51
▸ MAOB P27338 1/20 0.51
▸ EIF4E P06730 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ HDAC4 P56524 2/20 0.48
▸ HDAC1 Q13547 2/20 0.48
▸ HDAC7 Q8WUI4 2/20 0.48
▸ HDAC11 Q96DB2 2/20 0.48
▸ HDAC8 Q9BY41 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ HDAC9 Q9UKV0 2/20 0.48
▸ HDAC5 Q9UQL6 2/20 0.48

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
SCHEMBL16495831 0.88 HPGDS (0.73) HPGDSMAOBLMNAEPHX2HDAC4
SCHEMBL16495706 0.88 HPGDS (0.56) HPGDSPRKAA2MAOBEIF4ELMNA
SCHEMBL16496066 0.88 HPGDS (0.71) HPGDSMCHR1HTR2CPRKAA2NPC1
SCHEMBL16496425 0.87 HPGDS (0.63) HPGDSMCHR1HTR2CPRKAA2NPC1
SCHEMBL16495549 0.84 HPGDS (0.65) HPGDSMCHR1HTR2CNPC1RXFP1
SCHEMBL16495958 0.82 HPGDS (0.63) HPGDSMCHR1HTR2CPRKAA2NPC1
SCHEMBL16496124 0.82 HPGDS (0.63) HPGDSMCHR1HTR2CPRKAA2NPC1
SCHEMBL16495576 0.82 HPGDS (0.82) HPGDSMCHR1HTR2CPRKAA2NPC1
SCHEMBL13876544 0.82 MCHR1 (0.54) HPGDSMCHR1HTR2CPRKAA2NPC1
SCHEMBL16496093 0.81 HPGDS (0.56) HPGDSMAOBEIF4ELMNAEPHX2

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 1073/4885CXCR2 768/4885MCHR1 3398/4885

“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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