SCHEMBL657211

SCHEMBL657211

O=C1CC(c2ccccc2Br)CC(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.51
MAP1LC3B Q9GZQ8 2/20 0.51
HTR2C P28335 4/20 0.41
HTR2B P41595 4/20 0.41
KDM1A O60341 1/20 0.40
CTRB1 P17538 1/20 0.40
SLC6A2 P23975 2/20 0.40
HTR2A P28223 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 1/20 0.40
TP53 P04637 1/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL28571106 0.82 BRD4 (0.56) BRD4MAP1LC3BHTR2CHTR2BKDM1A
SCHEMBL23213193 0.79 BRD4 (0.46) BRD4MAP1LC3BHTR2CHTR2BKDM1A
SCHEMBL29619691 0.79 BRD4 (0.46) BRD4MAP1LC3BHTR2CHTR2BKDM1A
SCHEMBL1781042 0.78 TP53 (0.61) BRD4MAP1LC3BHTR2CHTR2BKDM1A
SCHEMBL30436948 0.77 BRD4 (0.51) BRD4MAP1LC3BHTR2CHTR2BKDM1A
SCHEMBL21885665 0.77 BRD4 (0.51) BRD4MAP1LC3BHTR2CHTR2BKDM1A
SCHEMBL14580255 0.77 TP53 (0.65) MAP1LC3BHTR2CHTR2BCTRB1HTR2A
SCHEMBL657344 0.77 ALDH1A1 (0.50) MAP1LC3BHTR2CHTR2BCTRB1HTR2A
SCHEMBL31121825 0.77 CTRB1 (0.47) CTRB1TP53RECQLALDH1A1MAPT
SCHEMBL657069 0.74 MTNR1A (0.57) KDM1ASLC6A2SLC6A4SLC6A3TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB BRD4 1520/4885MAP1LC3B 1654/4885HTR2C 4054/4885

“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.