SCHEMBL17971498

SCHEMBL17971498

c1ccc(-c2cc(-c3ccncc3)cc(-c3ccccc3)[n+]2-c2ccc(-[n+]3c(-c4ccccc4)cc(-c4ccncc4)cc3-c3ccccc3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.65
▸ RAB9A P51151 9/20 0.65
▸ NTSR1 P30989 3/20 0.65
▸ HTT P42858 3/20 0.65
▸ MAPK1 P28482 2/20 0.65
▸ NPSR1 Q6W5P4 2/20 0.65
▸ KDM4E B2RXH2 2/20 0.65
▸ UHRF1 Q96T88 1/20 0.65
▸ NR2F2 P24468 1/20 0.60
▸ RAD52 P43351 1/20 0.60
▸ NOTUM Q6P988 1/20 0.58
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ NPY1R P25929 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CA2 P00918 3/20 0.54
▸ CRHBP P24387 1/20 0.54

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
SCHEMBL17971504 1.00 NPC1 (0.65) NPC1RAB9ANTSR1HTTMAPK1
SCHEMBL17971500 0.91 NPC1 (0.64) NPC1RAB9ANTSR1HTTMAPK1
SCHEMBL17971507 0.91 NPC1 (0.64) NPC1RAB9ANTSR1HTTMAPK1
SCHEMBL20358566 0.91 NPC1 (0.59) NPC1RAB9ANTSR1HTTMAPK1
SCHEMBL805082 0.90 NPC1 (0.77) NPC1RAB9ANTSR1HTTMAPK1
SCHEMBL11533950 0.86 NPC1 (0.84) NPC1RAB9ANTSR1HTTMAPK1
Water SCHEMBL29507345 0.85 NPC1 (0.70) NPC1RAB9ANTSR1HTTMAPK1
SCHEMBL4250857 0.81 RAB9A (0.87) NPC1RAB9ANTSR1HTTMAPK1
SCHEMBL1501554 0.80 NPC1 (0.75) NPC1RAB9ANTSR1HTTMAPK1
SCHEMBL28925264 0.80 NPC1 (0.57) NPC1RAB9ANTSR1HTTMAPK1

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-20230374230-A1 CROSSLINKED GEL FORMULATION ESSILOR INTERNATIONAL (FR) 2023-11-23 — — US disclosed
US-20230220274-A1 ELECTROCHROMIC SOLUTION ESSILOR INTERNATIONAL (FR) 2023-07-13 — — US disclosed
US-20230220274-A1 ELECTROCHROMIC SOLUTION ESSILOR INTERNATIONAL (FR) 2023-07-13 — — US disclosed
US-9841652-B2 Electrochromic composition ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-12-12 — — US disclosed
US-9841652-B2 Electrochromic composition ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-12-12 — — US disclosed
EP-2848669-B1 Electrochromic composition ESSILOR INT (COMPAGNIE GÉNÉRALE D'OPTIQUE) (FR) 2017-11-29 — — EP disclosed
US-9785030-B2 Electrochromic composition ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-10-10 — — US disclosed
US-9785030-B2 Electrochromic composition ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-10-10 — — US disclosed
US-20160282694-A1 ELECTROCHROMIC COMPOSITION ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2016-09-29 — — US disclosed
US-20160231636-A1 ELECTROCHROMIC COMPOSITION ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2016-08-11 — — US disclosed
US-20160221949-A1 ELECTROCHROMIC TWO-CORE VIOLOGEN DERIVATIVES AND OPTICAL ARTICLES CONTAINING THEM ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQU E) (FR) 2016-08-04 — — 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 (1 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-20160221949-A1 ELECTROCHROMIC TWO-CORE VIOLOGEN DERIVATIVES AND OPTICAL ARTICLES CONTAINING THEM EYA2, CRY2, PPOX NPC1 4615/4885RAB9A 1100/4885NTSR1 4747/4885

“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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