SCHEMBL3174004

SCHEMBL3174004

O=C(O)/C=C/c1cc2ncccc2cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.52
▸ CYP3A4 P08684 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ PTGS2 P35354 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ PDE10A Q9Y233 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ BAZ1A Q9NRL2 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ BACE1 P56817 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
SCHEMBL3174017 1.00 MAPT (0.52) MAPTCYP3A4ALDH1A1L3MBTL1PTGS2
SCHEMBL3173460 0.95 MAPT (0.52) MAPTCYP3A4ALDH1A1L3MBTL1PTGS2
SCHEMBL3173449 0.95 MAPT (0.52) MAPTCYP3A4ALDH1A1L3MBTL1PTGS2
SCHEMBL3176416 0.85 KMT2A (0.47) MAPTCYP3A4ALDH1A1L3MBTL1PTGS2
SCHEMBL3176429 0.85 KMT2A (0.47) MAPTCYP3A4ALDH1A1L3MBTL1PTGS2
SCHEMBL13524148 0.82 MAPT (0.67) MAPTALDH1A1PTGS2RAB9AKDM4E
SCHEMBL3173935 0.81 ALDH1A1 (0.50) MAPTCYP3A4ALDH1A1L3MBTL1RAB9A
SCHEMBL3168611 0.81 KMT2A (0.47) MAPTCYP3A4ALDH1A1PTGS2RAB9A
SCHEMBL3168625 0.81 KMT2A (0.47) MAPTCYP3A4ALDH1A1PTGS2RAB9A
SCHEMBL27624729 0.79 MAPT (0.41) MAPTCYP3A4ALDH1A1L3MBTL1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645760-B2 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG. (CH) 2010-01-12 — — US disclosed
US-7645760-B2 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG. (CH) 2010-01-12 — — US disclosed
US-20060173004-A1 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG (CH) 2006-08-03 — — US disclosed
EP-1558594-A2 1-(4-BENZYL-PIPERAZIN-1-YL)-3-PHENYL-PROPENONE DERIVATIVES Novartis AG (CH) 2005-08-03 — — EP disclosed
WO-2004037796-A2 1-(4-BENZYL-PIPERAZIN-1-YL)-3-PHENYL-PROPENONE DERIVATIVES NOVARTIS AG (CH) 2004-05-06 — — 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-20060173004-A1 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives CCR1, CCR3, CCR4 MAPT 2279/4885CYP3A4 1170/4885ALDH1A1 290/4885

“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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