SCHEMBL22376147

SCHEMBL22376147

c1ccc2c(c1)sc1ccc(-c3ncnc(-c4ccc5sc6ccccc6c5c4)n3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.47
LIMK1 P53667 2/20 0.41
CYP1A2 P05177 1/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
PTGIR P43119 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36

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
SCHEMBL15836026 0.98 GPR3 (0.45) GPR3LIMK1CYP1A2MAPTALDH1A1
SCHEMBL18378311 0.95 LIMK1 (0.45) GPR3LIMK1CYP1A2MAPTALDH1A1
SCHEMBL15501952 0.90 GPR3 (0.54) GPR3CYP1A2MAPTALDH1A1HPGD
SCHEMBL15836013 0.89 NPC1 (0.41) GPR3LIMK1CYP1A2MAPTALDH1A1
SCHEMBL18215031 0.86 LIMK1 (0.45) GPR3LIMK1MAPTALDH1A1HPGD
SCHEMBL15855194 0.85 PLA2G2A (0.39) GPR3LIMK1CYP1A2MAPTALDH1A1
SCHEMBL22376228 0.85 LIMK1 (0.41) GPR3LIMK1CYP1A2MAPTALDH1A1
SCHEMBL23686640 0.85 GPR3 (0.48) GPR3LIMK1CYP1A2MAPTALDH1A1
SCHEMBL21116797 0.85 MAPT (0.49) GPR3CYP1A2MAPTALDH1A1HPGD
SCHEMBL21116914 0.85 MAPT (0.49) GPR3CYP1A2MAPTALDH1A1HPGD

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-20200274070-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2020-08-27 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-20200274070-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME ESR1, CCNA1, CCNE2 GPR3 4169/4885LIMK1 848/4885CYP1A2 78/4885

“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.