SCHEMBL3300570

SCHEMBL3300570

O=C(O)C(c1nnn[nH]1)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.33
CHRM3 P20309 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
HTR1E P28566 1/20 0.33
S1PR3 Q99500 1/20 0.33
EPHX1 P07099 2/20 0.32
HDAC6 Q9UBN7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL1975155 0.98 MEN1 (0.33) ALOX5CHRM3MEN1KMT2AMAPT
SCHEMBL6356694 0.74
SCHEMBL5415064 0.72
SCHEMBL5195552 0.72 AAK1 (0.31) EPHX1
SCHEMBL5195544 0.72 AAK1 (0.31) EPHX1
SCHEMBL19018271 0.68 MME (0.37) CHRM3ALDH1A1
SCHEMBL5642596 0.66 EPHX1 (0.36) MAPTLMNAEPHX1SMN1; SMN2
SCHEMBL9138194 0.65 ALDH1A1 (0.35) ALDH1A1CYP2C19
SCHEMBL67219 0.65 HTR1E (0.63) ALOX5CHRM3MEN1KMT2AMAPT
SCHEMBL12531975 0.65 HTR1E (0.63) ALOX5CHRM3MEN1KMT2AMAPT

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-7737163-B2 Benzimidazolone carboxylic acid derivatives PFIZER INC. (US) 2010-06-15 US disclosed
US-7705020-B2 Benzimidazolone carboxylic acid derivatives PFIZER INC. (US) 2010-04-27 US disclosed
US-7595329-B2 Benzimidazolone carboxylic acid derivatives PFIZER INC (US) 2009-09-29 US disclosed
US-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives PFIZER INC 2008-05-08 US disclosed
EP-1758891-A2 BENZIMIDAZOLONE CARBOXYLIC ACID DERIVATIVES Pfizer Japan Inc. (JP) 2007-03-07 EP disclosed
WO-2005123718-A2 BENZIMIDAZOLONE CARBOXYLIC ACID DERIVATIVES PFIZER JAPAN INC. (JP) 2005-12-29 WO disclosed
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives PFIZER INC 2005-12-15 US disclosed
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives PFIZER INC 2005-12-15 US disclosed
US-20050277673-A1 Benzimidazolone carboxylic acid derivatives PFIZER JAPAN INC. (JP) 2005-12-15 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 (4 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-20050277673-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 ALOX5 473/4885CHRM3 21/4885MEN1 524/4885
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 ALOX5 473/4885CHRM3 21/4885MEN1 524/4885
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 ALOX5 473/4885CHRM3 21/4885MEN1 524/4885
US-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives HRH2, HRH4, GPR4 ALOX5 451/4885CHRM3 42/4885MEN1 452/4885

“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.