SCHEMBL13416802

SCHEMBL13416802

COc1cc(-c2nc(-c3cccnc3)no2)ccc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 9/20 1.00
▸ NPC1 O15118 6/20 0.81
▸ RAB9A P51151 5/20 0.81
▸ MAPT P10636 5/20 0.81
▸ SMN1; SMN2 Q16637 3/20 0.75
▸ S1PR3 Q99500 1/20 0.65
▸ TP53 P04637 2/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ NFKB1 P19838 1/20 0.64
▸ NFKB2 Q00653 1/20 0.64
▸ RELA Q04206 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ CHRNB2 P17787 1/20 0.61
▸ CHRNA5 P30532 1/20 0.61
▸ CHRNA4 P43681 1/20 0.61
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60

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
SCHEMBL13417017 0.95 S1PR1 (1.00) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL14327874 0.85 S1PR1 (0.74) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13416335 0.84 S1PR1 (1.00) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13416803 0.84 S1PR1 (1.00) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13416325 0.82 S1PR1 (0.77) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13417214 0.82 S1PR1 (1.00) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4030646 0.81 S1PR1 (0.67) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL8040085 0.81 NPC1 (0.90) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1422699 0.81 MAPK1 (0.80) S1PR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13416336 0.80 S1PR1 (1.00) S1PR1NPC1RAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2913326-A1 Novel modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-09-02 — — EP disclosed
US-20150057307-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-26 — — US disclosed
US-8796318-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2014-08-05 — — US disclosed
US-8796318-B2 Modulators of sphingosine phosphate receptors THE SCRIPPS RESEARCH INSTITUTE (US) 2014-08-05 — — 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
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
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 (8 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 S1PR1 1/4885NPC1 1207/4885RAB9A 2592/4885
US-20190084947-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885NPC1 1349/4885RAB9A 2455/4885
US-20120329838-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885NPC1 1349/4885RAB9A 2455/4885
US-20120329839-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885NPC1 1349/4885RAB9A 2455/4885
US-20120329840-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885NPC1 1349/4885RAB9A 2455/4885
US-20170050941-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885NPC1 1349/4885RAB9A 2455/4885
US-20150057307-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885NPC1 1349/4885RAB9A 2455/4885
US-20100010001-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR4 S1PR1 1/4885NPC1 1399/4885RAB9A 2501/4885

“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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