SCHEMBL21116797

SCHEMBL21116797

c1ccc2c(c1)sc1cc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4ccc5sc6ccccc6c5c4)n3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GPR3 P46089 1/20 0.48
CYP1A2 P05177 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGIR P43119 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN12 Q05209 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
APP P05067 2/20 0.36
ALOX5 P09917 1/20 0.36
PIM3 Q86V86 1/20 0.35
ATM Q13315 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
SCHEMBL21116914 1.00 MAPT (0.49) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL22329662 0.95 MAPT (0.45) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL30422699 0.95 GPR3 (0.54) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL15315643 0.95 GPR3 (0.54) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL15501952 0.95 GPR3 (0.54) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL22240613 0.94 ALDH1A1 (0.44) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL22240645 0.94 ALDH1A1 (0.44) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL22240591 0.94 ALDH1A1 (0.44) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL25068704 0.93 MAPT (0.49) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL22760350 0.92 PIM3 (0.43) MAPTALDH1A1HPGDRAB9ASMN1; 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-20190198780-A1 ORGANIC COMPOUND AND COMPOSITION AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-06-27 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-20190198780-A1 ORGANIC COMPOUND AND COMPOSITION AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OR10J3, OXER1, OR51E2 MAPT 2200/4885ALDH1A1 339/4885HPGD 3708/4885

“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.