SCHEMBL19961748

SCHEMBL19961748

Brc1ccc2c(ccc3cc4sc5ccccc5c4cc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ HPGD P15428 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ GPR3 P46089 1/20 0.45
▸ CYP2A6 P11509 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ EPM2A O95278 1/20 0.35
▸ PTPN2 P17706 1/20 0.35
▸ PTPN1 P18031 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
SCHEMBL22073687 0.87 CYP2A6 (0.48) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL22134248 0.87 CYP2A6 (0.48) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL258838 0.82 GPR3 (0.61) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL29887048 0.82 GPR3 (0.61) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL29601409 0.82 GPR3 (0.61) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL13562200 0.82 CYP2A6 (0.42) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL14603416 0.81 MAPT (0.50) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL18553276 0.80 CYP2A6 (0.44) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL13562135 0.79 CYP2A6 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19110439 0.79 MAPT (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072753-A1 NOVEL ORGANIC HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE COMPRISING SAME SFC CO., LTD. (KR) 2018-03-15 — — 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-20180072753-A1 NOVEL ORGANIC HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE COMPRISING SAME OR10J3, CRY1, NR2E3 ALDH1A1 133/4885MAPT 3200/4885HPGD 3384/4885

“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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