SCHEMBL3206537

SCHEMBL3206537

COc1cccc(OC)c1CNCc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
GAA P10253 3/20 0.44
MAPK1 P28482 3/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.42
ABCB1 P08183 1/20 0.42
ABCC1 P33527 1/20 0.42
EGFR P00533 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
SCHEMBL4716067 0.93 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL3197983 0.83 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL3211864 0.78 MAPT (0.47) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL3213334 0.78 HPGD (0.50) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP3A4
SCHEMBL4717003 0.74 HPGD (0.47) ALDH1A1KMT2AKDM4ESMN1; SMN2CYP1A2
SCHEMBL3215060 0.73 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL25408229 0.73 TP53 (0.63) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL311157 0.72 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL30193867 0.72 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL25412107 0.72 S100A4 (0.40) ALDH1A1KDM4ECYP1A2MAPK1ABCB1

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
US-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 US disclosed
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 WO 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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C ALDH1A1 1897/4885MEN1 2777/4885KMT2A 3808/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C ALDH1A1 1897/4885MEN1 2777/4885KMT2A 3808/4885

“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.