SCHEMBL2489635

SCHEMBL2489635

CN(C)Cc1cccc(/C=C/C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.59
LTB4R2 Q9NPC1 1/20 0.59
HDAC4 P56524 2/20 0.56
MEF2D Q14814 1/20 0.56
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
PKM P14618 2/20 0.55
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HDAC3 O15379 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
TNKS O95271 1/20 0.52
HDAC1 Q13547 1/20 0.52
HCAR2 Q8TDS4 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
TNKS2 Q9H2K2 1/20 0.52

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
SCHEMBL2489638 1.00 LTB4R (0.59) LTB4RLTB4R2HDAC4MEF2DKDM4E
SCHEMBL5477569 0.88 HDAC4 (0.54) LTB4RLTB4R2HDAC4MEF2DKDM4E
SCHEMBL21221187 0.84 HDAC4 (0.81) LTB4RLTB4R2HDAC4MEF2DACHE
SCHEMBL21221185 0.84 HDAC4 (0.81) LTB4RLTB4R2HDAC4MEF2DACHE
SCHEMBL2490150 0.83 TTR (0.55) LTB4RLTB4R2HDAC4MEF2DKDM4E
SCHEMBL2490147 0.83 TTR (0.55) LTB4RLTB4R2HDAC4MEF2DKDM4E
SCHEMBL28363349 0.81 KDM4E (0.62) LTB4RLTB4R2HDAC4MEF2DKDM4E
SCHEMBL17083115 0.81 KDM4E (0.62) LTB4RLTB4R2HDAC4MEF2DKDM4E
SCHEMBL4575021 0.81 HDAC6 (0.71) HDAC4MEF2DKDM4EALDH1A1PKM
SCHEMBL3565886 0.81 KDM4E (0.59) LTB4RLTB4R2HDAC4MEF2DKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756112-B1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS BOEHRINGER INGELHEIM INT (DE) 2011-10-26 EP disclosed
US-7714010-B2 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 US disclosed
EP-1598353-A1 Pyrrolobenzimidazolones and their use as antiproliferative agents Boehringer Ingelheim International GmbH (DE) 2005-11-23 EP 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-20050261350-A1 Pyrrolobenzimidazolones and their use as anti-proliferative agents MKI67, CCNI, CCNA1 LTB4R 2391/4885LTB4R2 2830/4885HDAC4 1001/4885

“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.