SCHEMBL18589626

SCHEMBL18589626

c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccccc2-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 3/20 0.34
▸ DUSP3 P51452 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ PTPN5 P54829 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL18589566 0.99 GPR3 (0.37) GPR3ALDH1A1MAPTDUSP3MEN1
SCHEMBL24676259 0.93 GPR3 (0.39) GPR3ALDH1A1MAPTDUSP3MEN1
SCHEMBL24676548 0.91 GPR3 (0.41) GPR3ALDH1A1MAPTDUSP3MEN1
SCHEMBL17341377 0.90 DUSP3 (0.33) GPR3MAPTDUSP3MEN1POLB
SCHEMBL19729750 0.88 MAPK14 (0.35) ALDH1A1DUSP3
SCHEMBL18777247 0.87 GPR3 (0.39) GPR3ALDH1A1MAPTDUSP3MEN1
SCHEMBL19711249 0.86 G6PD (0.33) —
SCHEMBL19702338 0.86 G6PD (0.33) —
SCHEMBL19702347 0.86 G6PD (0.33) —
SCHEMBL18589630 0.86 GPR3 (0.36) GPR3ALDH1A1MAPTDUSP3MEN1

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
EP-3141550-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2017-03-15 — — EP disclosed
US-20170069853-A1 CONDENSED CYCLIC COMOPUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-03-09 — — US disclosed
US-20170069853-A1 CONDENSED CYCLIC COMOPUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-03-09 — — 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-20170069853-A1 CONDENSED CYCLIC COMOPUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNL2, CRY2 GPR3 1947/4885ALDH1A1 537/4885MAPT 1138/4885

“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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