SCHEMBL21116843

SCHEMBL21116843

N#Cc1ccc2c(c1)sc1cc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4ccc5c(c4)sc4ccccc45)n3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.44
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ CYP1A2 P05177 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ CLK4 Q9HAZ1 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ GPR3 P46089 1/20 0.40
▸ ABCB1 P08183 2/20 0.40

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
SCHEMBL21117101 0.88 TNKS (0.41) APPALDH1A1MAPTHPGDRAB9A
SCHEMBL30422699 0.86 GPR3 (0.54) APPALDH1A1MAPTHPGDRAB9A
SCHEMBL16905520 0.86 GPR3 (0.54) APPALDH1A1MAPTHPGDRAB9A
SCHEMBL15315643 0.86 GPR3 (0.54) APPALDH1A1MAPTHPGDRAB9A
SCHEMBL22329352 0.84 ABCG2 (0.48) ALDH1A1MEN1CYP1A2KMT2ACYP3A4
SCHEMBL22329464 0.84 ABCG2 (0.48) ALDH1A1MEN1CYP1A2KMT2ACYP3A4
SCHEMBL22700749 0.83 CYP1A2 (0.48) ALDH1A1MAPTHPGDMEN1CYP1A2
SCHEMBL24406990 0.82 ABCG2 (0.42) ALDH1A1MAPTMEN1CYP1A2KMT2A
SCHEMBL21109846 0.82 MAPT (0.49) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21116797 0.82 MAPT (0.49) APPALDH1A1MAPTHPGDRAB9A

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 APP 1313/4885ALDH1A1 339/4885MAPT 2200/4885

“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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