Sugi Predict

Sugi Predict / Compounds / SCHEMBL3398965

SCHEMBL3398965

SCHEMBL3398965

O=CC(c1ccncc1)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.39
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ OPRM1 P35372 2/20 0.38
▸ OPRL1 P41146 2/20 0.38
▸ NFE2L2 Q16236 1/20 0.37
▸ ACP3 P15309 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TSHR P16473 3/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ IDO1 P14902 2/20 0.35
▸ TDO2 P48775 2/20 0.35
▸ IDO2 Q6ZQW0 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ ABCB11 O95342 1/20 0.35

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
SCHEMBL1515735 0.85 ACP3 (0.49) SLC6A2SLC6A4SLC6A3CYP2C19OPRM1
SCHEMBL3663698 0.82 CNR1 (0.53) SLC6A2SLC6A4SLC6A3CYP2C19ACP3
SCHEMBL3658241 0.82 KCNA5 (0.45) CYP19A1SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL7727749 0.81 ACP3 (0.41) CYP19A1SLC6A2SLC6A4SLC6A3CYP2C19
SCHEMBL3658338 0.80 MEN1 (0.46) CYP19A1SLC6A4CYP2C19TSHRIDO1
SCHEMBL5317299 0.79 MAPKAPK2 (0.40) CYP19A1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL6501428 0.79 GAA (0.41) SLC6A2SLC6A4SLC6A3CYP2C19ACP3
SCHEMBL1515763 0.77 SLC6A3 (0.58) SLC6A2SLC6A4SLC6A3HSD17B10KDM4E
SCHEMBL16062471 0.77 CYP1A2 (0.42) SLC6A2SLC6A4SLC6A3CYP2C19HPGD
SCHEMBL6502655 0.77 CYP19A1 (0.42) CYP19A1NFE2L2HSD17B10TSHRIDO1

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
EP-2249834-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2010-11-17 — — EP disclosed
EP-2242753-A1 OXAZOLIDINE AND THIAZOLIDINE SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2010-10-27 — — EP disclosed
EP-2240468-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2010-10-20 — — EP disclosed
WO-2009091760-A1 OXAZOLIDINE AND THIAZOLIDINE SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-07-23 — — WO disclosed
WO-2009091759-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-07-23 — — WO disclosed
WO-2009091874-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2009-07-23 — — WO disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 — — 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 CYP19A1 2827/4885SLC6A2 4327/4885SLC6A4 4742/4885

“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.