SCHEMBL3198208

SCHEMBL3198208

COc1cccc(OC)c1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
G6PD P11413 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
HPGD P15428 5/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
LMNA P02545 2/20 0.49
AKR1B1 P15121 1/20 0.48
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
ALOX12 P18054 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4714060 0.92 POLB (0.50) POLBALDH1A1SMN1; SMN2G6PDCRHBP
SCHEMBL3208528 0.84 HPGD (0.66) POLBALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL3213334 0.80 HPGD (0.50) POLBALDH1A1SMN1; SMN2HPGDCYP1A2
SCHEMBL3211864 0.78 MAPT (0.47) POLBALDH1A1SMN1; SMN2G6PDCRHBP
SCHEMBL31405649 0.78 ALDH1A1 (0.68) POLBALDH1A1SMN1; SMN2HPGDCYP1A2
SCHEMBL13753358 0.78 ALDH1A1 (0.68) POLBALDH1A1SMN1; SMN2HPGDCYP1A2
SCHEMBL4717003 0.76 HPGD (0.47) POLBALDH1A1SMN1; SMN2HPGDCYP1A2
SCHEMBL3537551 0.76 ALDH1A1 (0.65) POLBALDH1A1SMN1; SMN2HPGDCYP1A2
SCHEMBL31715299 0.76 HPGD (0.64) POLBALDH1A1SMN1; SMN2HPGDCYP1A2
SCHEMBL7096117 0.75 ALDH1A1 (0.65) POLBALDH1A1SMN1; SMN2HPGDCYP1A2

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 POLB 4491/4885ALDH1A1 1897/4885SMN1; SMN2 1722/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C POLB 4491/4885ALDH1A1 1897/4885SMN1; SMN2 1722/4885

“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.