SCHEMBL4501433

SCHEMBL4501433

COc1ccc(C=C[N+](=O)[O-])c(OC)c1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.74
VCP P55072 4/20 0.55
ABCG2 Q9UNQ0 1/20 0.53
CYP1A1 P04798 4/20 0.51
CYP1B1 Q16678 4/20 0.51
CYP19A1 P11511 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.49
LMNA P02545 4/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 2/20 0.49
MITF O75030 1/20 0.49
HSP90AA1 P07900 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
NTSR1 P30989 1/20 0.48
CCR6 P51684 1/20 0.48
MCL1 Q07820 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL4501431 1.00 PRMT1 (0.74) PRMT1VCPABCG2CYP1A1CYP1B1
SCHEMBL14812451 1.00 PRMT1 (0.74) PRMT1VCPABCG2CYP1A1CYP1B1
SCHEMBL34463115 0.87 PRMT1 (0.66) PRMT1VCPABCG2ALDH1A1MAPT
SCHEMBL5712541 0.86 PRMT1 (0.64) PRMT1VCPALDH1A1MAPTLMNA
SCHEMBL5712544 0.86 PRMT1 (0.64) PRMT1VCPALDH1A1MAPTLMNA
SCHEMBL1011167 0.85 PRMT1 (1.00) PRMT1VCPCYP1A1CYP1B1CYP19A1
SCHEMBL1011169 0.85 PRMT1 (1.00) PRMT1VCPCYP1A1CYP1B1CYP19A1
SCHEMBL193398 0.82 PRMT1 (0.59) PRMT1VCPALDH1A1MAPTLMNA
SCHEMBL151935 0.82 PRMT1 (0.59) PRMT1VCPALDH1A1MAPTLMNA
SCHEMBL130011 0.82 PRMT1 (0.59) PRMT1VCPALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10155259-B2 FSH receptor antagonists MERCK SHARP & DOHME B.V. (NL) 2018-12-18 US disclosed
EP-2763986-B1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (NL) 2017-06-07 EP disclosed
CN-105265432-A Application of (E)-1,2,3-trimethoxy-beta-nitrostyrolene SHANGHAI INST TECHNOLOGY 2016-01-27 CN disclosed
US-20150329545-A1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME B.V. (NL) 2015-11-19 US disclosed
US-9127007-B2 FSH receptor antagonists MERCK SHARP & DOHME B.V. (NL) 2015-09-08 US disclosed
US-20140350043-A1 FSH RECEPTOR ANTAGONISTS MERCK SHARP & DOHME B.V. (NL) 2014-11-27 US disclosed
EP-2763986-A1 FSH RECEPTOR ANTAGONISTS Merck Sharp & Dohme B.V. (NL) 2014-08-13 EP disclosed
WO-2013041458-A1 FSH RECEPTOR ANTAGONISTS MSD OSS B.V. (NL) 2013-03-28 WO disclosed
US-20090023728-A1 1,2,3,4-Tetrahydroisoquinoline Derivatives, Preparations Thereof and Uses Thereof ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023728-A1 1,2,3,4-Tetrahydroisoquinoline Derivatives, Preparations Thereof and Uses Thereof ASTRAZENECA AB (SE) 2009-01-22 US disclosed
CN-1655783-A Phosphodiesterase iv inhibitor containing pyridylacrylamide derivative TSUMURA & CO (JP) 2005-08-17 CN disclosed
US-5866513-A Aryl-substituted cycloalkanes and cycloalkenes and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1999-02-02 US disclosed
EP-0768298-A1 Aryl-substituted cycloalkanes and cycloalkenes and herbicidal use thereof ROHM AND HAAS COMPANY (US) 1997-04-16 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 (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-20140350043-A1 FSH RECEPTOR ANTAGONISTS FSHR, GNRHR, LHCGR PRMT1 1380/4885VCP 3014/4885ABCG2 4478/4885
US-20090023728-A1 1,2,3,4-Tetrahydroisoquinoline Derivatives, Preparations Thereof and Uses Thereof OPRD1, QDPR, RECQL PRMT1 182/4885VCP 4460/4885ABCG2 176/4885
US-10155259-B2 FSH receptor antagonists FSHR, GNRHR, LHCGR PRMT1 1156/4885VCP 2984/4885ABCG2 4491/4885
US-20150329545-A1 FSH RECEPTOR ANTAGONISTS FSHR, GNRHR, LHCGR PRMT1 1156/4885VCP 2984/4885ABCG2 4491/4885

“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.