SCHEMBL17640548

SCHEMBL17640548

c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2nsc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ HSD17B1 P14061 2/20 0.40
▸ HSD17B2 P37059 2/20 0.40
▸ SNCA P37840 1/20 0.38
▸ MAOA P21397 1/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ BCHE P06276 3/20 0.33
▸ ACHE P22303 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL17640580 0.97 CYP19A1 (0.45) CYP19A1HDAC6MAPTHSD17B1HSD17B2
SCHEMBL17640576 0.97 CYP19A1 (0.45) CYP19A1HDAC6MAPTHSD17B1HSD17B2
SCHEMBL17640612 0.91 CYP19A1 (0.40) CYP19A1HDAC6MAPTHSD17B1HSD17B2
SCHEMBL21915416 0.90 HDAC6 (0.41) CYP19A1HDAC6MAPTHSD17B1HSD17B2
SCHEMBL21915628 0.90 CYP19A1 (0.40) CYP19A1HDAC6MAPTHSD17B1HSD17B2
SCHEMBL21915393 0.89 CYP19A1 (0.39) CYP19A1HDAC6MAPTHSD17B1HSD17B2
SCHEMBL21915428 0.89 HSD17B1 (0.40) CYP19A1HDAC6MAPTHSD17B1HSD17B2
SCHEMBL17640569 0.87 CYP19A1 (0.51) CYP19A1MAPTHSD17B1HSD17B2SNCA
SCHEMBL21915474 0.86 HSD17B1 (0.39) CYP19A1HDAC6MAPTHSD17B1HSD17B2
SCHEMBL21915567 0.86 HDAC6 (0.49) CYP19A1HDAC6MAPTMAOAADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020062375-A1 1,2,4-THIADIAZOLE COMPOUNDS AND PREPARATION METHOD THEREFOR AND USE THEREOF 武汉尚赛光电科技有限公司 2020-04-02 — — WO disclosed
US-10333078-B2 Fluorescent organic light emitting elements having high efficiency UDC IRELAND LIMITED (IE) 2019-06-25 — — US disclosed
US-20170309828-A1 Fluorescent Organic Light Emitting Elements Having High Efficiency BASF SE (DE) 2017-10-26 — — US disclosed
US-20170309828-A1 Fluorescent Organic Light Emitting Elements Having High Efficiency BASF SE (DE) 2017-10-26 — — US disclosed
WO-2016046350-A1 FLUORESCENT ORGANIC LIGHT EMITTING ELEMENTS HAVING HIGH EFFICIENCY BASF SE (DE) 2016-03-31 — — 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-10333078-B2 Fluorescent organic light emitting elements having high efficiency NR2E3, CRY1, ALDH1A2 CYP19A1 2245/4885HDAC6 3454/4885MAPT 2708/4885
US-20170309828-A1 Fluorescent Organic Light Emitting Elements Having High Efficiency NR2E3, CRY1, ALDH1A2 CYP19A1 2245/4885HDAC6 3454/4885MAPT 2708/4885

“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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