SCHEMBL16160758

SCHEMBL16160758

c1ccc(C2=NN=C(NCc3ccc4c(c3)OCO4)SC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ MAPT P10636 3/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ HPGD P15428 4/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ LMNA P02545 1/20 0.48
▸ FAAH O00519 1/20 0.46
▸ PDE5A O76074 1/20 0.46
▸ KCNH2 Q12809 1/20 0.45

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
SCHEMBL4358639 0.74 L3MBTL1 (0.48) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL11556034 0.73 MAPT (0.61) ALDH1A1MAPTNPC1RAB9ANPSR1
SCHEMBL9672474 0.72 MAPT (0.63) ALDH1A1MAPTNPC1RAB9ANPSR1
SCHEMBL11385692 0.71 ALDH1A1 (0.41) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL12369298 0.69 ALDH1A1 (0.69) ALDH1A1MAPTNPC1RAB9ANPSR1
SCHEMBL24127879 0.68 ALDH1A1 (0.58) ALDH1A1MAPTNPC1RAB9ANPSR1
SCHEMBL647938 0.68 ALDH1A1 (0.70) ALDH1A1NPC1RAB9AHPGDKDM4E
SCHEMBL21156277 0.67 DYRK1A (0.56) —
SCHEMBL24127872 0.67 ALDH1A1 (0.56) ALDH1A1MAPTNPC1RAB9ANPSR1
SCHEMBL21156826 0.67 RAB9A (0.46) ALDH1A1MAPTNPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9566224-B2 Tyrosinase inhibitors AVON PRODUCTS, INC. (US) 2017-02-14 — — US disclosed
US-9566224-B2 Tyrosinase inhibitors AVON PRODUCTS, INC. (US) 2017-02-14 — — US disclosed
US-20150174034-A1 TYROSINASE INHIBITORS AVON PRODUCTS, INC. 2015-06-25 — — US disclosed
US-20150174034-A1 TYROSINASE INHIBITORS AVON PRODUCTS, INC. 2015-06-25 — — US disclosed
US-20150118170-A1 TYROSINASE INHIBITORS AVON PRODUCTS, INC. 2015-04-30 — — US disclosed
US-20150118170-A1 TYROSINASE INHIBITORS AVON PRODUCTS, INC. 2015-04-30 — — US disclosed
WO-2014164200-A1 TYROSINASE INHIBITORS AVON PRODUCTS, INC (US) 2014-10-09 — — 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 (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-20150174034-A1 TYROSINASE INHIBITORS TYR, CUTA, MAOA ALDH1A1 541/4885MAPT 186/4885NPC1 2636/4885
US-20150118170-A1 TYROSINASE INHIBITORS TYR, CUTA, MAOA ALDH1A1 541/4885MAPT 186/4885NPC1 2636/4885

“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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