SCHEMBL16399418

SCHEMBL16399418

COc1ccc(C=Cc2ccc(-c3[nH]nnc3C#N)cc2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ CHAT P28329 1/20 0.43
▸ IMPDH2 P12268 1/20 0.41
▸ IMPDH1 P20839 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ CAPN1 P07384 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ FYN P06241 1/20 0.34
▸ NFE2L2 Q16236 2/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ CYP1A1 P04798 3/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ CYP1B1 Q16678 3/20 0.34

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
SCHEMBL17969015 1.00 LMNA (0.52) LMNAMAPTCHATIMPDH2IMPDH1
SCHEMBL17969151 0.83 BACE1 (0.42) LMNAMAPTIMPDH2IMPDH1SMN1; SMN2
SCHEMBL17969153 0.83 BACE1 (0.42) LMNAMAPTIMPDH2IMPDH1SMN1; SMN2
SCHEMBL17969071 0.79 NPC1 (0.43) LMNAMAPTSMN1; SMN2HPGDKMT2A
SCHEMBL16399381 0.79 NPC1 (0.43) LMNAMAPTSMN1; SMN2HPGDKMT2A
SCHEMBL17969082 0.79 TUBB1 (0.48) MAPTSMN1; SMN2CYP1A1CYP1A2CYP1B1
SCHEMBL16399003 0.79 TUBB1 (0.48) MAPTSMN1; SMN2CYP1A1CYP1A2CYP1B1
SCHEMBL16399388 0.79 KDM4E (0.39) LMNAMAPTSMN1; SMN2MEN1HPGD
SCHEMBL16399387 0.79 KDM4E (0.39) LMNAMAPTSMN1; SMN2MEN1HPGD
SCHEMBL17969113 0.78 ERBB2 (0.37) MAPTSMN1; SMN2MEN1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — US claimed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 — — EP claimed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 — — WO claimed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — US disclosed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 — — EP disclosed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 — — WO 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 LMNA 4192/4885MAPT 2196/4885CHAT 136/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 LMNA 4192/4885MAPT 2196/4885CHAT 136/4885

“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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