SCHEMBL15418479

SCHEMBL15418479

[N-]=[N+]=NC(CO)c1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TSHR P16473 3/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ADRB2 P07550 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
SCHEMBL28396816 0.83 ADRB2 (0.38) LMNACYP1A2TSHRMAPK1HIF1A
SCHEMBL18530379 0.81 HTR2A (0.32) CYP1A2PDE2A
SCHEMBL17927282 0.81 CHRNA7 (0.36) LMNASMN1; SMN2PDE2A
SCHEMBL15382013 0.81 NOS3 (0.41) LMNACYP2C19AOC3
SCHEMBL15382016 0.81 NOS3 (0.41) LMNACYP2C19AOC3
SCHEMBL16864595 0.81 NOS3 (0.41) LMNACYP2C19AOC3
SCHEMBL29888904 0.80 SLC6A4 (0.33) LMNACYP1A2THRBMAPTPMP22
SCHEMBL31172465 0.78 BRD4 (0.41) LMNACYP1A2THRBTSHRCYP2C9
SCHEMBL20817113 0.75 ALDH1A1 (0.45) LMNACYP1A2MAPTSMN1; SMN2TSHR
SCHEMBL26226803 0.73 MAPT (0.42) MAPTTSHRCYP2C9TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104640859-B Fused triazole derivatives as gamma secretase modulators 阿雷斯贸易股份有限公司 2017-03-01 — — CN disclosed
US-9527853-B2 Fused triazole derivatives as gamma secretase modulators ARES TRADING S.A. (CH) 2016-12-27 — — US disclosed
EP-2875025-B1 FUSED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ARES TRADING SA (CH) 2016-11-30 — — EP disclosed
US-20150183790-A1 FUSED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS MERCK PATENT GMBH (DE) 2015-07-02 — — US disclosed
EP-2875025-A1 FUSED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Ares Trading S.A. (CH) 2015-05-27 — — EP disclosed
CN-104640859-A Fused triazole derivatives as gamma secretase modulators ARES TRADING SA 2015-05-20 — — CN disclosed
WO-2014012614-A1 FUSED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ARES TRADING S.A. (CH) 2014-01-23 — — WO disclosed
EP-2687528-A1 Fused triazole derivatives as gamma secretase modulators ARES TRADING S.A. (CH) 2014-01-22 — — 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-20150183790-A1 FUSED TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, GSAP, BACE2 LMNA 2862/4885CYP1A2 1766/4885THRB 1254/4885

“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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