SCHEMBL3213334

SCHEMBL3213334

COc1cccc(OC)c1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.50
POLB P06746 1/20 0.50
ABCB1 P08183 2/20 0.47
ABCC1 P33527 1/20 0.47
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 4/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL4717003 0.96 HPGD (0.47) HPGDPOLBABCB1ABCC1CYP3A4
SCHEMBL3208528 0.84 HPGD (0.66) HPGDPOLBHTTKDM4EALDH1A1
SCHEMBL3198208 0.80 POLB (0.57) HPGDPOLBCYP3A4CYP1A2CYP2C19
SCHEMBL3206537 0.78 ALDH1A1 (0.47) ABCB1ABCC1CYP3A4CYP1A2CYP2C19
SCHEMBL6715984 0.75 HPGD (0.57) HPGDPOLBHTTKDM4EALDH1A1
SCHEMBL4716067 0.75 ALDH1A1 (0.42) ABCB1ABCC1CYP3A4CYP1A2CYP2C19
SCHEMBL10487960 0.74 AKR1B1 (0.61) HPGDPOLBHTTKDM4EALDH1A1
SCHEMBL28355214 0.74 PKM (0.55) POLBABCB1ABCC1CYP3A4CYP1A2
SCHEMBL10487898 0.74 AKR1B1 (0.53) HPGDCYP3A4CYP1A2CYP2C19NPC1
SCHEMBL4714060 0.73 POLB (0.50) HPGDPOLBCYP3A4CYP1A2CYP2C19

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 HPGD 1244/4885POLB 4491/4885ABCB1 388/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C HPGD 1244/4885POLB 4491/4885ABCB1 388/4885

“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.