Sugi Predict

Sugi Predict / Compounds / SCHEMBL1706604

SCHEMBL1706604

SCHEMBL1706604

[CH2]CCc1cc(C)cc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.52
▸ CYP2A6 P11509 2/20 0.52
▸ CYP2C19 P33261 3/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ IDH1 O75874 1/20 0.37
▸ CYP2D6 P10635 1/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 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
SCHEMBL7654443 0.89 CYP1A2 (0.48) CYP1A2CYP2A6CYP2C19CYP2C9CYP3A4
SCHEMBL27477260 0.88 CYP1A2 (0.59) CYP1A2CYP2A6CYP2C19CYP2C9CYP3A4
SCHEMBL7655964 0.88 CYP1A2 (0.47) CYP1A2CYP2A6CYP2C19CYP2C9CYP3A4
SCHEMBL7652962 0.86 CYP1A2 (0.46) CYP1A2CYP2A6CYP2C19CYP2C9CYP3A4
SCHEMBL1287560 0.85 CYP1A2 (0.55) CYP1A2CYP2A6CYP2C19CYP2C9CYP3A4
SCHEMBL5833000 0.83 CYP1A2 (0.53) CYP1A2CYP2A6CYP2C19CYP2C9CYP3A4
SCHEMBL27318110 0.81 CYP1A2 (0.52) CYP1A2CYP2A6CYP2C19CYP2C9CYP3A4
SCHEMBL28437960 0.81 CYP1A2 (0.47) CYP1A2CYP2A6CYP2C19CYP2C9CYP3A4
SCHEMBL16041939 0.80 CYP1A2 (0.59) CYP1A2CYP2A6CYP2C19CYP2C9CYP3A4
Ammonia Solution, Strong SCHEMBL27938005 0.79 CYP1A2 (0.48) CYP1A2CYP2A6TDP1CYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126987-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-09-08 — — US disclosed
EP-2091948-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-04-18 — — EP disclosed
EP-2091948-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2009-08-26 — — EP disclosed
US-20080214620-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-09-04 — — US disclosed
WO-2008065141-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-06-05 — — WO disclosed
CN-1149214-C Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient ������������ʽ���� 2004-05-12 — — CN disclosed
US-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 — — US disclosed
CN-1293674-A Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient TORAY INDUSTRIES (JP) 2001-05-02 — — CN disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 — — 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-20080214620-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, GLUL CYP1A2 3053/4885CYP2A6 3719/4885CYP2C19 2382/4885

“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.