SCHEMBL19721603

SCHEMBL19721603

CC1(C)c2ccccc2N(c2ccc3sc4ccccc4c3c2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.40
▸ MAPT P10636 6/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PTPN7 P35236 1/20 0.35
▸ DUSP3 P51452 1/20 0.35
▸ PTPN12 Q05209 1/20 0.35
▸ PTPN22 Q9Y2R2 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL13231557 0.96 KMT2A (0.35) GPR3MAPTCYP1A2KDM4EKMT2A
SCHEMBL30687231 0.96 KMT2A (0.35) GPR3MAPTCYP1A2KDM4EKMT2A
SCHEMBL12117277 0.93 CYP1A2 (0.33) CYP1A2KMT2ACYP2D6NPSR1LMNA
SCHEMBL13557575 0.92 GPR3 (0.34) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL16488249 0.91 GPR3 (0.33) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL13143078 0.90 PGR (0.36) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL18267511 0.89 MAPT (0.47) MAPTALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL13557727 0.89 GPR3 (0.32) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL13557657 0.89 GPR3 (0.32) GPR3PTPN7DUSP3PTPN12PTPN22
SCHEMBL13427388 0.89 GPR3 (0.32) GPR3MAPTALDH1A1RAB9AHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190296245-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 — — US disclosed
US-20190252624-A1 ORGANIC SEMICONDUCTOR COMPOSITION AND SEMICONDUCTING LAYER OBTAINED THEREFROM SOLVAY SA (BE) 2019-08-15 — — US disclosed
EP-3258509-A1 9,9-DISUBSTITUTED 9,10-DIHYDROACRIDINE COMPOUNDS AND THEIR USE FOR DOPING CRYSTALLINE ORGANIC SEMICONDUCTORS Solvay SA (BE) 2017-12-20 — — EP 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-20190296245-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LAGE3, PPOX, SUN2 GPR3 2971/4885MAPT 1870/4885ALDH1A1 97/4885

“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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