SCHEMBL1413262

SCHEMBL1413262

NC(=NO)c1cccc2[nH]cnc12

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.66
▸ RXFP1 Q9HBX9 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PRMT5 O14744 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36

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
SCHEMBL30831905 1.00 PARP1 (0.66) PARP1RXFP1LMNAGAAL3MBTL1
SCHEMBL1413261 1.00 PARP1 (0.66) PARP1RXFP1LMNAGAAL3MBTL1
SCHEMBL18225573 0.79 PARP1 (0.70) PARP1RXFP1LMNAPRMT5
SCHEMBL630485 0.79 PARP1 (1.00) PARP1
SCHEMBL7468933 0.79 PARP1 (0.56) PARP1RXFP1
Hydrochloric Acid SCHEMBL7358627 0.78 PARP1 (0.97) PARP1
SCHEMBL18249353 0.75 PARP1 (0.51) PARP1PRMT5
Hydrochloric Acid SCHEMBL28102418 0.74 PARP1 (0.62) PARP1RXFP1LMNAPRMT5
SCHEMBL453514 0.74 PARP1 (0.72) PARP1RXFP1
SCHEMBL12618985 0.73 PARP1 (0.38) PARP1LMNAGAAL3MBTL1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240122179-A1 AUXINIC HERBICIDES AND METHODS OF USE THEREOF CORTEVA AGRISCIENCE LLC (US) 2024-04-18 — — US disclosed
CN-117813004-A Auxin herbicide and application method thereof 科迪华农业科技有限责任公司 2024-04-02 — — CN disclosed
WO-2022170075-A1 AUXINIC HERBICIDES AND METHODS OF USE THEREOF CORTEVA AGRISCIENCE LLC (US) 2022-08-11 — — WO disclosed
EP-3782991-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS The Scripps Research Institute (US) 2021-02-24 — — EP disclosed
US-10544136-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2020-01-28 — — US disclosed
US-20190084947-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE 2019-03-21 — — US disclosed
US-9975863-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 — — US disclosed
US-20180009770-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE 2018-01-11 — — US disclosed
US-20170050941-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-02-23 — — US disclosed
US-9382217-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2016-07-05 — — US disclosed
US-8530503-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 — — US disclosed
US-8481573-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-07-09 — — US disclosed
US-8466183-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-06-18 — — US disclosed
US-20120329840-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE (US) 2012-12-27 — — US disclosed
US-20120329838-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE (US) 2012-12-27 — — US disclosed
US-20120329839-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE (US) 2012-12-27 — — US disclosed
EP-2291080-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS The Scripps Research Institute (US) 2011-03-09 — — EP disclosed
WO-2009151529-A9 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-04-08 — — WO disclosed
US-20100010001-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-14 — — US disclosed
WO-2009151529-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-17 — — 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 (9 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-10544136-B2 Modulators of sphingosine phosphate receptors S1PR1, S1PR3, S1PR2 PARP1 2193/4885RXFP1 164/4885LMNA 3367/4885
US-20190084947-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 PARP1 2419/4885RXFP1 167/4885LMNA 3700/4885
US-20240122179-A1 AUXINIC HERBICIDES AND METHODS OF USE THEREOF DDT, HACL2, ALAD PARP1 4728/4885RXFP1 2097/4885LMNA 4370/4885
US-20180009770-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 PARP1 2200/4885RXFP1 152/4885LMNA 3678/4885
US-20120329838-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 PARP1 2419/4885RXFP1 167/4885LMNA 3700/4885
US-20120329839-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 PARP1 2419/4885RXFP1 167/4885LMNA 3700/4885
US-20120329840-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 PARP1 2419/4885RXFP1 167/4885LMNA 3700/4885
US-20170050941-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 PARP1 2419/4885RXFP1 167/4885LMNA 3700/4885
US-20100010001-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR4 PARP1 2450/4885RXFP1 178/4885LMNA 3786/4885

“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.

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