SCHEMBL21514554

SCHEMBL21514554

c1ccc2c(c1)Sc1ccccc1N2c1ccc2ccc3c(N4c5ccccc5Sc5cc6c(cc54)sc4ccccc46)ccc4ccc1c2c43

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ BCHE P06276 9/20 0.35
▸ ACHE P22303 2/20 0.35
▸ GPR3 P46089 1/20 0.34
▸ NOX1 Q9Y5S8 3/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33

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
SCHEMBL21324171 1.00 ALDH1A1 (0.36) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21514370 0.91 HPGD (0.37) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21324304 0.91 HPGD (0.37) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21324198 0.87 GPR3 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21514359 0.87 GPR3 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21324377 0.84 ALDH1A1 (0.32) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21514403 0.84 ALDH1A1 (0.32) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21324352 0.82 GPR3 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21514542 0.82 GPR3 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21514232 0.81 ALDH1A1 (0.33) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844043-B2 Heteroaromatic compound and organic electroluminescence device using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2020-11-24 — — US disclosed
US-20190322641-A1 HETEROAROMATIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2019-10-24 — — 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-10844043-B2 Heteroaromatic compound and organic electroluminescence device using the same VDAC1, TRPC6, TRPC5 ALDH1A1 578/4885MAPT 1876/4885HPGD 1762/4885
US-20190322641-A1 HETEROAROMATIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME VDAC1, TRPC6, TRPC5 ALDH1A1 578/4885MAPT 1876/4885HPGD 1762/4885

“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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