SCHEMBL16053223

SCHEMBL16053223

c1ccc(N2CCOCC2c2nc3cnccc3[nH]2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 1/20 0.38
▸ HDAC6 Q9UBN7 6/20 0.38
▸ HDAC8 Q9BY41 5/20 0.38
▸ HDAC1 Q13547 4/20 0.38
▸ HDAC5 Q9UQL6 2/20 0.38
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ COPS5 Q92905 1/20 0.36
▸ MTOR P42345 3/20 0.35
▸ DRD4 P21917 3/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ NR3C2 P08235 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ PRCP P42785 1/20 0.34
▸ CHEK1 O14757 1/20 0.33

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
SCHEMBL16053273 0.82 PLD1 (0.39) HDAC6HDAC8HDAC1MAPTRAB9A
SCHEMBL17611157 0.81 MAPT (0.37) MAPTRAB9ADRD4DRD2KDM4E
SCHEMBL16053274 0.69 MAPT (0.76) MAPTRAB9ADRD4DRD2KDM4E
SCHEMBL27517643 0.67 KDM4E (0.43) NUDT1MTORKDM4EALDH1A1ATR
SCHEMBL29442179 0.67 ATR (0.55) MTORKDM4EALDH1A1CHEK1ATR
SCHEMBL2127456 0.67 ATR (0.55) MTORKDM4EALDH1A1CHEK1ATR
SCHEMBL28539899 0.67 ATR (0.55) MTORKDM4EALDH1A1CHEK1ATR
SCHEMBL27578290 0.67 KDM4E (0.43) MTORKDM4EALDH1A1ATR
SCHEMBL28539901 0.67 ATR (0.55) MTORKDM4EALDH1A1CHEK1ATR
SCHEMBL16053647 0.66 NUDT1 (0.38) NUDT1HDAC6HDAC8HDAC1HDAC5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180360808-A1 VAP-1 INHIBITORS FOR TREATING PAIN Benevolentai Cambridge Limited (GB) 2018-12-20 — — US disclosed
EP-2970260-A1 IMIDAZO[4,5-C]PYRIDINE AND PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS SSAO INHIBITORS Proximagen Limited (GB) 2016-01-20 — — EP disclosed
WO-2014140592-A1 IMIDAZO[4,5-C]PYRIDINE AND PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS SSAO INHIBITORS PROXIMAGEN LIMITED (GB) 2014-09-18 — — WO 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-20180360808-A1 VAP-1 INHIBITORS FOR TREATING PAIN VAPB, VAPA, OPRL1 NUDT1 2326/4885HDAC6 1261/4885HDAC8 3602/4885

“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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