SCHEMBL6074622

SCHEMBL6074622

CCCC(=O)CCC[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
BLM P54132 1/20 0.43
HBB P68871 1/20 0.43
HIF1A Q16665 1/20 0.43
CES2 O00748 6/20 0.40
CES1 P23141 6/20 0.40
MAPT P10636 1/20 0.39
FFAR3 O14843 3/20 0.37
HDAC3 O15379 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.36
HAO1 Q9UJM8 1/20 0.35

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
SCHEMBL11032946 0.88 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1CES2CES1
SCHEMBL6073675 0.84 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1LMNABLM
SCHEMBL15013922 0.81 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1LMNABLM
SCHEMBL9680510 0.79 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1LMNABLM
SCHEMBL10496017 0.78 MEN1 (0.43) ALDH1A1KMT2AMEN1LMNABLM
SCHEMBL10343485 0.77 LMNA (0.58) ALDH1A1KMT2AMEN1LMNABLM
SCHEMBL8795227 0.76 MEN1 (0.44) ALDH1A1KMT2AMEN1LMNABLM
SCHEMBL16663701 0.75 MAPT (0.52) ALDH1A1KMT2ACES2CES1MAPT
SCHEMBL5194043 0.75 KMT2A (0.59) ALDH1A1KMT2AMEN1CES2CES1
SCHEMBL6293818 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119207-B2 Benzoamide piperidine containing compounds and related compounds PFIZER INC (US) 2006-10-10 US disclosed
EP-1585720-A1 PROCESS FOR CONVERTING A CIS-TRANS MIXTURE OF SUBSTITUTED BENZYLIDENE AMINES INTO THE PURE CIS ISOMER Pfizer Products Inc. (US) 2005-10-19 EP disclosed
US-6878848-B2 Process for converting a cis-trans mixture of substituted benzylidene amines into the pure cis isomer PFIZER INC (US) 2005-04-12 US disclosed
US-20040254380-A1 Process for converting a cis-trans mixture of substituted benzylidene amines into the pure cis isomer PFIZER INC 2004-12-16 US disclosed
WO-2004043908-A1 PROCESS FOR CONVERTING A CIS-TRANS MIXTURE OF SUBSTITUTED BENZYLIDENE AMINES INTO THE PURE CIS ISOMER PFIZER PRODUCTS INC. (US) 2004-05-27 WO disclosed
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds PFIZER INC. 2003-05-08 US disclosed
EP-1272484-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS Pfizer Products Inc. (US) 2003-01-08 EP disclosed
WO-2001077100-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-10-18 WO disclosed
US-3941846-A Preparation of nitrocarbonyl compounds TEXACO INC. (US) 1976-03-02 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 (2 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-20040254380-A1 Process for converting a cis-trans mixture of substituted benzylidene amines into the pure cis isomer BDKRB1, BDKRB2, TACR1 ALDH1A1 448/4885KMT2A 1249/4885MEN1 997/4885
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds TACR1, VIPR1, VIPR2 ALDH1A1 732/4885KMT2A 1034/4885MEN1 2361/4885

“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.