SCHEMBL6755746

SCHEMBL6755746

CN(Cc1ccccn1)c1ncc([N+](=O)[O-])cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.53
▸ PDE7A Q13946 1/20 0.42
▸ CXCR3 P49682 1/20 0.42
▸ PKM P14618 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GBA1 P04062 1/20 0.39
▸ PIK3CD O00329 1/20 0.38
▸ PIK3R1 P27986 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6756625 0.79 TP53 (0.45) POLBPDE7APKMTDP1ALDH1A1
SCHEMBL6758179 0.79 POLB (0.77) POLBPKMCYP1A2CYP3A4TDP1
SCHEMBL2884783 0.76 CRHBP (0.58) POLBPKMATMCYP1A2CYP3A4
SCHEMBL11544080 0.74 ALDH1A1 (0.60) CYP2C9TDP1ALDH1A1NPC1MAPT
SCHEMBL6756626 0.73 HDAC4 (0.48) POLBPDE7APKMCYP1A2CYP3A4
SCHEMBL27903552 0.72 ALDH1A1 (0.50) CYP1A2TDP1ALDH1A1L3MBTL1NPC1
SCHEMBL2129386 0.72 LMNA (0.44) POLBTDP1ALDH1A1MAPTMAPK1
SCHEMBL2128489 0.72 MAPT (0.48) POLBALDH1A1KDM4EMAPTRAB9A
SCHEMBL6793817 0.71 PKM (0.60) POLBPDE7APKMCYP1A2CYP3A4
SCHEMBL28778797 0.70 L3MBTL1 (0.43) POLBPKMTDP1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 — — US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 — — EP 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-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 POLB 2787/4885PDE7A 4184/4885CXCR3 574/4885

“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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