SCHEMBL14327883

SCHEMBL14327883

Cc1ccc(-c2noc(-c3ccnnc3)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 12/20 0.69
▸ RAB9A P51151 11/20 0.69
▸ MEN1 O00255 4/20 0.69
▸ KMT2A Q03164 4/20 0.69
▸ S1PR1 P21453 4/20 0.67
▸ NFKB1 P19838 5/20 0.61
▸ NFKB2 Q00653 5/20 0.61
▸ RELA Q04206 5/20 0.61
▸ NR1H4 Q96RI1 1/20 0.59
▸ SMN1; SMN2 Q16637 6/20 0.57
▸ TP53 P04637 4/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ MAPT P10636 1/20 0.56
▸ S1PR3 Q99500 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ L3MBTL1 Q9Y468 4/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ MAOA P21397 1/20 0.52
▸ MAOB P27338 1/20 0.52

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
SCHEMBL12267148 0.82 NPC1 (0.85) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL13416804 0.80 S1PR1 (1.00) NPC1RAB9AS1PR1TP53NPSR1
SCHEMBL8360176 0.80 S1PR1 (0.55) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL14327841 0.79 SMN1; SMN2 (0.88) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL12895789 0.79 NPC1 (0.73) NPC1RAB9AMEN1KMT2ANFKB1
SCHEMBL13416336 0.79 S1PR1 (1.00) NPC1RAB9AS1PR1SMN1; SMN2MAPT
SCHEMBL13417243 0.78 CA9 (0.72) S1PR1
SCHEMBL13417387 0.78 S1PR1 (0.59) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL1421385 0.77 S1PR1 (0.62) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL13453336 0.76 NPC1 (0.67) NPC1RAB9AMEN1KMT2AS1PR1

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-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-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-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-20120329838-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE (US) 2012-12-27 — — US disclosed
US-20120329840-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20180009770-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 NPC1 1683/4885RAB9A 2814/4885MEN1 1931/4885
US-20120329838-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 NPC1 1349/4885RAB9A 2455/4885MEN1 1614/4885
US-20120329839-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 NPC1 1349/4885RAB9A 2455/4885MEN1 1614/4885
US-20120329840-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 NPC1 1349/4885RAB9A 2455/4885MEN1 1614/4885
US-20170050941-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 NPC1 1349/4885RAB9A 2455/4885MEN1 1614/4885
US-20150057307-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 NPC1 1349/4885RAB9A 2455/4885MEN1 1614/4885

“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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