SCHEMBL3294615

SCHEMBL3294615

O=C(OCc1ccccc1)C1(CI)CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL22294005 0.86 KMT2A (0.52) KMT2AMEN1NPSR1DDB1CRBN
SCHEMBL24241977 0.83 MEN1 (0.50) KMT2AMEN1NPSR1DDB1CRBN
SCHEMBL24241978 0.83 MEN1 (0.47) KMT2AMEN1NPSR1DDB1CRBN
SCHEMBL3654430 0.83 DDB1 (0.52) KMT2ADDB1CRBNALDH1A1MAPK1
SCHEMBL21850708 0.82 KMT2A (0.55) KMT2AMEN1NPSR1DDB1CRBN
SCHEMBL5358863 0.82 KMT2A (0.54) KMT2AMEN1NPSR1DDB1CRBN
SCHEMBL23135866 0.81 MEN1 (0.48) KMT2AMEN1NPSR1DDB1CRBN
SCHEMBL4817295 0.81 KMT2A (0.45) KMT2AMEN1NPSR1DDB1CRBN
SCHEMBL1966881 0.81 KMT2A (0.52) KMT2AMEN1NPSR1DDB1CRBN
SCHEMBL4816648 0.80 ALDH1A1 (0.44) KMT2AMEN1NPSR1DDB1CRBN

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 KMT2A 4076/4885MEN1 524/4885NPSR1 50/4885
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 KMT2A 4076/4885MEN1 524/4885NPSR1 50/4885
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 KMT2A 4076/4885MEN1 524/4885NPSR1 50/4885
US-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives HRH2, HRH4, GPR4 KMT2A 3974/4885MEN1 452/4885NPSR1 58/4885

“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.