SCHEMBL1913552

SCHEMBL1913552

Nc1nc2ccc(CF)cc2s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.70
NPC1 O15118 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
MAPT P10636 1/20 0.61
AXL P30530 1/20 0.61
GFER P55789 1/20 0.61
GAA P10253 2/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SCN4A P35499 3/20 0.56
EPHX2 P34913 1/20 0.56
CYP3A4 P08684 5/20 0.51
HSD17B10 Q99714 3/20 0.51
CYP1A2 P05177 3/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
PKM P14618 2/20 0.51
PIK3CA P42336 2/20 0.51
PI4KA P42356 2/20 0.51
PI4KB Q9UBF8 2/20 0.51

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
SCHEMBL13780339 0.85 RAB9A (0.81) RAB9ANPC1SMN1; SMN2MAPTAXL
SCHEMBL3113690 0.84 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MAPTAXL
SCHEMBL142514 0.82 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTAXL
SCHEMBL31385162 0.82 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTAXL
SCHEMBL27899294 0.82 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTAXL
SCHEMBL785395 0.82 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTAXL
SCHEMBL9475607 0.81 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MAPTAXL
SCHEMBL7130526 0.80 RAB9A (0.73) RAB9ANPC1SMN1; SMN2MAPTAXL
SCHEMBL9722768 0.79 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPTAXL
SCHEMBL5164106 0.79 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPTAXL

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-10208049-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2019-02-19 US disclosed
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2018-05-17 US disclosed
US-20140357611-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR NIH 2014-12-04 US disclosed
US-20140235604-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-08-21 US disclosed
US-8722669-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-13 US disclosed
US-20120295895-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-22 US disclosed
EP-2509596-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS Case Western Reserve University (US) 2012-10-17 EP disclosed
WO-2011071995-A2 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2011-06-16 WO disclosed
EP-0282971-B1 Substituted 2-aminobenzothiazoles and derivatives useful as cerebrovascular agents WARNER LAMBERT CO (US) 1994-12-28 EP disclosed
US-4971983-A Use as anesthetics in surgery where a risk of cerebrovascular damage exists; e.g. riluzole WARNER-LAMBERT COMPANY (US) 1990-11-20 US disclosed
US-4918090-A ADMINISTERING TO STROKE PATIENT WARNER-LAMBERT COMPANY (US) 1990-04-17 US disclosed
US-4826860-A STROKES WARNER-LAMBERT COMPANY (US) 1989-05-02 US disclosed
EP-0282971-A2 Substituted 2-aminobenzothiazoles and derivatives useful as cerebrovascular agents WARNER-LAMBERT COMPANY (US) 1988-09-21 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 (5 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-20120295895-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT RAB9A 432/4885NPC1 29/4885SMN1; SMN2 489/4885
US-20140357611-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, TYR, HRH2 RAB9A 1363/4885NPC1 80/4885SMN1; SMN2 1417/4885
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT RAB9A 432/4885NPC1 29/4885SMN1; SMN2 489/4885
US-20140235604-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT RAB9A 432/4885NPC1 29/4885SMN1; SMN2 489/4885
US-10208049-B2 Compounds and methods of treating ocular disorders ALDH1A2, NR2E3, LRAT RAB9A 432/4885NPC1 29/4885SMN1; SMN2 489/4885

“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.