SCHEMBL21469972

SCHEMBL21469972

Cc1ccc(-c2cc(-c3ccncc3)cc(-c3ccc(C)cc3)[n+]2-c2cc(C)ccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.46
▸ RAB9A P51151 10/20 0.46
▸ RCE1 Q9Y256 1/20 0.46
▸ NTSR1 P30989 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ KDR P35968 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ STAT1 P42224 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ UHRF1 Q96T88 2/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ EIF4H Q15056 1/20 0.35

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
SCHEMBL20357047 0.95 NPC1 (0.44) NPC1RAB9ARCE1NTSR1USP2
SCHEMBL20365744 0.81 NPC1 (0.61) NPC1RAB9ARCE1NTSR1USP2
SCHEMBL20358080 0.76 NPC1 (0.57) NPC1RAB9ARCE1NTSR1USP2
SCHEMBL20358292 0.76 NPC1 (0.57) NPC1RAB9ARCE1NTSR1USP2
SCHEMBL28925264 0.76 NPC1 (0.57) NPC1RAB9ARCE1NTSR1USP2
SCHEMBL28652692 0.76 NPC1 (0.57) NPC1RAB9ARCE1NTSR1USP2
SCHEMBL20357895 0.76 NPC1 (0.57) NPC1RAB9ARCE1NTSR1USP2
SCHEMBL16564290 0.74 NPC1 (0.59) NPC1RAB9ARCE1NTSR1USP2
SCHEMBL19695696 0.72 NPC1 (0.45) NPC1RAB9ARCE1NTSR1USP2
SCHEMBL13019480 0.71 MAPT (0.65) NPC1RAB9AMEN1KMT2AKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10730855-B2 Electrochromic compounds and optical articles containing them ESSILOR INTERNATIONAL (FR) 2020-08-04 — — US disclosed
US-20190315718-A1 ELECTROCHROMIC COMPOUNDS AND OPTICAL ARTICLES CONTAINING THEM ESSILOR INTERNATIONAL (FR) 2019-10-17 — — 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 (2 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-10730855-B2 Electrochromic compounds and optical articles containing them EYA2, EYA3, ALDH1A2 NPC1 4544/4885RAB9A 1110/4885RCE1 2745/4885
US-20190315718-A1 ELECTROCHROMIC COMPOUNDS AND OPTICAL ARTICLES CONTAINING THEM EYA2, EYA3, ALDH1A2 NPC1 4544/4885RAB9A 1110/4885RCE1 2745/4885

“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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