SCHEMBL21692555

SCHEMBL21692555

N#Cc1cc(-c2ccccc2)cc(-c2cc(-c3ccc4c(c3)sc3ccccc34)cc(-c3ccc4sc5ccccc5c4c3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LIMK1 P53667 3/20 0.38
▸ PRSS12 P56730 1/20 0.38
▸ GPR3 P46089 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ CYP1A2 P05177 2/20 0.35
▸ CYP19A1 P11511 1/20 0.34
▸ PTPN7 P35236 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ PTPN12 Q05209 1/20 0.33
▸ PTPN22 Q9Y2R2 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PTPN5 P54829 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 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
SCHEMBL21691573 0.96 GPR3 (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21693058 0.96 ALDH1A1 (0.42) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21692239 0.94 GPR3 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21692551 0.94 MAPT (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21691547 0.92 PRSS12 (0.40) ALDH1A1LIMK1PRSS12GPR3PIM3
SCHEMBL21692340 0.92 MAP4K4 (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21692346 0.92 LIMK1 (0.45) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL15315592 0.92 ALDH1A1 (0.44) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21693041 0.92 GPR3 (0.42) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL15315594 0.92 ALDH1A1 (0.44) 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-11053228-B2 Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-07-06 — — US disclosed
US-20200031812-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND SAMSUNG SDI CO., LTD. (KR) 2020-01-30 — — 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-11053228-B2 Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound CCNL2, ARL1, CRY1 ALDH1A1 738/4885MAPT 1412/4885HPGD 3809/4885
US-20200031812-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND CCNL2, ARL1, CRY1 ALDH1A1 738/4885MAPT 1412/4885HPGD 3809/4885

“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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