SCHEMBL1808243

SCHEMBL1808243

COc1cccc(O)c1C=C[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.57
VCP P55072 5/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
MAPK1 P28482 2/20 0.56
SYK P43405 2/20 0.56
EGFR P00533 2/20 0.56
GALR2 O43603 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
FBP1 P09467 4/20 0.48
HSP90AA1 P07900 1/20 0.47
BACE1 P56817 2/20 0.47
APP P05067 1/20 0.47
TP53 P04637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL1808241 1.00 PRMT1 (0.57) PRMT1VCPMAPTALDH1A1LMNA
SCHEMBL4307853 0.89 PRMT1 (0.66) PRMT1VCPMAPTALDH1A1LMNA
SCHEMBL4307858 0.89 PRMT1 (0.66) PRMT1VCPMAPTALDH1A1LMNA
SCHEMBL34462745 0.81 PRMT1 (0.57) PRMT1VCPMAPTALDH1A1LMNA
SCHEMBL34462896 0.81 HSP90AA1 (0.70) PRMT1VCPMAPTALDH1A1LMNA
SCHEMBL20561887 0.79 PRMT1 (0.55) PRMT1VCPMAPTALDH1A1LMNA
SCHEMBL20561884 0.79 PRMT1 (0.55) PRMT1VCPMAPTALDH1A1LMNA
SCHEMBL8321676 0.78 PRMT1 (0.70) PRMT1VCPMAPTALDH1A1LMNA
SCHEMBL8321670 0.78 PRMT1 (0.70) PRMT1VCPMAPTALDH1A1LMNA
SCHEMBL34463055 0.78 PRMT1 (0.54) PRMT1VCPMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-12-06 US disclosed
US-9879033-B2 Modulators of 5-HT receptors and methods of use thereof AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-30 US disclosed
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-20160096851-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2016-04-07 US disclosed
US-9187483-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2015-11-17 US disclosed
EP-2641907-B1 Preparation of modulators of 5-HT receptors ABBVIE INC (US) 2015-01-28 EP disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
EP-2641907-A1 Preparation of modulators of 5-HT receptors AbbVie Inc. (US) 2013-09-25 EP disclosed
EP-2432783-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LAB (US) 2013-05-01 EP disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US disclosed
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 US 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 (4 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-20160096851-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C PRMT1 1413/4885VCP 4299/4885MAPT 3274/4885
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C PRMT1 1413/4885VCP 4299/4885MAPT 3274/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C PRMT1 1413/4885VCP 4299/4885MAPT 3274/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C PRMT1 1413/4885VCP 4299/4885MAPT 3274/4885

“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.