SCHEMBL16496171

SCHEMBL16496171

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.53
▸ MLNR O43193 5/20 0.43
▸ SRC P12931 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ DRD4 P21917 2/20 0.41
▸ TPSAB1 Q15661 2/20 0.41
▸ TPSD1 Q9BZJ3 2/20 0.41
▸ TPSG1 Q9NRR2 2/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HTR2A P28223 1/20 0.40
▸ PLG P00747 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ WNT3A P56704 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ LIPG Q9Y5X9 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
SCHEMBL16495666 0.93 HPGDS (0.55) HPGDSMLNRSRCDRD2DRD4
SCHEMBL16496114 0.91 SSTR3 (0.45) HPGDSMLNRSRCMEN1KMT2A
SCHEMBL16496138 0.91 SRC (0.49) HPGDSSRCMEN1KMT2ADRD2
SCHEMBL16496076 0.90 HPGDS (0.54) HPGDSMLNRSRCDRD2DRD4
SCHEMBL16495758 0.88 HPGDS (0.54) HPGDSSRCTPSAB1TPSD1TPSG1
SCHEMBL16495485 0.82 SRC (0.50) HPGDSSRCDRD2DRD4TPSAB1
SCHEMBL16495774 0.82 MCHR1 (0.45) HPGDSMLNRSRCHDAC1HDAC8
SCHEMBL16495915 0.82 SRC (0.51) HPGDSSRCDRD2DRD4TPSAB1
SCHEMBL1364946 0.81 DRD4 (0.43) HPGDSSRCMEN1KMT2ADRD2
SCHEMBL16495584 0.79 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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