Sugi Predict

Sugi Predict / Compounds / SCHEMBL6124100

SCHEMBL6124100

SCHEMBL6124100

O=C1CC(c2ccccc2)Cc2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.77
▸ MAPT P10636 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAP1LC3B Q9GZQ8 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ MAOB P27338 2/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ AR P10275 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ LDHA P00338 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL28522066 0.88 CYP19A1 (0.67) CYP19A1MAPTGAAMAP1LC3BMEN1
SCHEMBL10692675 0.88 CYP19A1 (0.67) CYP19A1MAPTGAAMAP1LC3BMEN1
SCHEMBL10525226 0.84 CYP19A1 (0.61) CYP19A1MAPTGAAMAP1LC3BMEN1
SCHEMBL10815794 0.84 CYP19A1 (0.66) CYP19A1MAPTMEN1KMT2AKDM4E
SCHEMBL11125053 0.84 CYP19A1 (0.66) CYP19A1MAPTGAAMAP1LC3BMEN1
SCHEMBL10693966 0.84 CYP19A1 (0.61) CYP19A1MAPTGAAMAP1LC3BMEN1
SCHEMBL10985659 0.82 CYP19A1 (0.60) CYP19A1MAPTGAAMEN1KMT2A
SCHEMBL4742061 0.80 GAA (0.56) CYP19A1MAPTGAASIGMAR1
SCHEMBL31490454 0.80 GAA (0.56) CYP19A1MAPTGAASIGMAR1
SCHEMBL20341079 0.80 CYP19A1 (0.61) CYP19A1MAPTGAAMAP1LC3BMEN1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023122754-A1 PROCESSES AND INTERMEDIATES FOR PREPARING GB13, GB22 AND HIMGALINE THE SCRIPPS RESEARCH INSTITUTE (US) 2023-06-29 — — WO disclosed
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 — — US disclosed
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 — — US disclosed
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL MYERS SQUIBB CO (US) 2020-09-17 — — US disclosed
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL MYERS SQUIBB CO (US) 2020-09-17 — — US disclosed
WO-2017161145-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 — — WO disclosed
WO-2017161145-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 — — WO disclosed
US-8298512-B2 Methods of determining β-III tubulin expression UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-10-30 — — US disclosed
US-8178545-B2 Dual small molecule inhibitors of cancer and angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-15 — — US disclosed
US-20070244098-A1 Dual Small Molecule Inhibitors of Cancer and Angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2007-10-18 — — US disclosed
US-20010056109-A1 Imidazole derivatives ORION CORPORATION (FI) 2001-12-27 — — US disclosed
WO-2001051472-A1 NEW IMIDAZOLE DERIVATIVES ORION CORPORATION (FI) 2001-07-19 — — WO disclosed
CN-1057083-C Tricyclic 1-aminoethylpyrrol derivative HOFFMANN LA ROCHE (CH) 2000-10-04 — — CN disclosed
CN-1191862-A 8-substituted-1,3,8-triaza-spiro [4,5] decan-4-on derivatives HOFFMANN LA ROCHE (CH) 1998-09-02 — — CN disclosed
EP-0657426-B1 Tricyclic pyrrole derivatives HOFFMANN LA ROCHE (CH) 1998-07-22 — — EP disclosed
US-5646173-A ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1997-07-08 — — US disclosed
CN-1105989-A Tricyclic 1-aminoethylpyrrol derivative HOFFMANN LA ROCHE (CH) 1995-08-02 — — CN disclosed
EP-0657426-A2 Tricyclic pyrrole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1995-06-14 — — EP disclosed
US-4963568-A TREATMENT OF PARKINSON*S DISEASE, CARDIOVASCULAR DISORDERS ABBOTT LABORATORIES (US) 1990-10-16 — — US disclosed
US-4831034-A 4-benzylpiperazines useful as neuroleptics RHONE-POULENC SANTE (FR) 1989-05-16 — — 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 (4 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-20010056109-A1 Imidazole derivatives ADRB2, ADRB1, ADRA1D CYP19A1 1178/4885MAPT 1899/4885GAA 2825/4885
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX EPX, MPO, SERPINB1 CYP19A1 2130/4885MAPT 4328/4885GAA 1103/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 CYP19A1 2130/4885MAPT 4328/4885GAA 1103/4885
US-20070244098-A1 Dual Small Molecule Inhibitors of Cancer and Angiogenesis TP53, MAP2, MAP1LC3B CYP19A1 2931/4885MAPT 107/4885GAA 3612/4885

“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.