SCHEMBL3168611

SCHEMBL3168611

COC(=O)/C=C/c1cc2cccnc2cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALOX15 P16050 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ POLB P06746 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CCNC P24863 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ MAPT P10636 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
SCHEMBL3168625 1.00 KMT2A (0.47) KMT2ASMN1; SMN2KDM4EALOX15HTT
SCHEMBL3176429 0.95 KMT2A (0.47) KMT2ASMN1; SMN2KDM4EALOX15HTT
SCHEMBL3176416 0.95 KMT2A (0.47) KMT2ASMN1; SMN2KDM4EALOX15HTT
SCHEMBL3173449 0.85 MAPT (0.52) KMT2AKDM4EPOLBRAB9AALDH1A1
SCHEMBL3173460 0.85 MAPT (0.52) KMT2AKDM4EPOLBRAB9AALDH1A1
SCHEMBL13524147 0.84 MEN1 (0.53) KMT2ASMN1; SMN2POLBRAB9AALDH1A1
SCHEMBL3174004 0.81 MAPT (0.52) KMT2AKDM4EPOLBRAB9AALDH1A1
SCHEMBL16523380 0.81 KDM4E (0.51) KMT2ASMN1; SMN2KDM4EALOX15HTT
SCHEMBL3174017 0.81 MAPT (0.52) KMT2AKDM4EPOLBRAB9AALDH1A1
SCHEMBL3164630 0.77 ERN1 (0.48) KMT2ASMN1; SMN2KDM4EALOX15HTT

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 KMT2A 4287/4885SMN1; SMN2 1168/4885KDM4E 3129/4885

“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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