Sugi Predict

Sugi Predict / Compounds / SCHEMBL309479

SCHEMBL309479

SCHEMBL309479

Nc1cc(C(F)(F)F)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ PKM P14618 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ IDO1 P14902 3/20 0.48
▸ MPL P40238 2/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CFTR P13569 1/20 0.46
▸ TDO2 P48775 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NOS3 P29474 1/20 0.43

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
Bromide SCHEMBL3161327 0.98 ALDH1A1 (0.50) ALDH1A1KDM4EPKMHPGDHSD17B10
Hydrochloric Acid SCHEMBL4381686 0.98 IDO1 (0.52) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL19878460 0.82 ALDH1A1 (0.36) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL29739611 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL19878554 0.82 ALDH1A1 (0.36) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL31345743 0.82 ESR2 (0.41) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL28567219 0.82 ESR2 (0.41) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL379155 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL161784 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL29505675 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EPKMHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118702906-B Polyether polyol for polyurethane wood-like material and preparation method thereof 山东一诺威新材料有限公司 2024-12-17 — — CN claimed
CN-119116501-A High-wear-resistance silicon core tube and preparation method thereof 河北坤鹏光电科技有限公司 2024-12-13 — — CN claimed
CN-114752037-B Preparation method of low-dielectric flame-retardant epoxy resin 青岛富斯林化工科技有限公司 2024-02-09 — — CN claimed
CN-111620824-B Method for synthesizing quinazoline compound by taking aromatic aldehyde as substrate 武汉理工大学 2023-08-22 — — CN claimed
CN-111807977-B 9-aniline fluorene-9-carboxylic ester compound and preparation method thereof 武汉理工大学 2022-11-04 — — CN claimed
CN-114752037-A Preparation method of low-dielectric-resistance flame-retardant epoxy resin 青岛富斯林化工科技有限公司 2022-07-15 — — CN claimed
CN-114685398-A Cyclohexanothiadiazine compound and preparation method and application thereof 沈阳农业大学 2022-07-01 — — CN claimed
CN-111718262-B Simple preparation method of 9-hydroxyfluorene-9-carboxylic ester compound 武汉理工大学 2021-08-24 — — CN claimed
CN-111807977-A 9-aniline fluorene-9-carboxylic ester compound and preparation method thereof 武汉理工大学 2020-10-23 — — CN claimed
CN-111718262-A Simple preparation method of 9-hydroxyfluorene-9-carboxylic ester compound 武汉理工大学 2020-09-29 — — CN claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 — — WO claimed
WO-2005111025-A1 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2005-11-24 — — WO claimed
US-6861524-B2 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents AVENTIS PHARMACEUTICALS INC. (US) 2005-03-01 — — US claimed
EP-1377579-A2 ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS Aventis Pharmaceuticals Inc. (US) 2004-01-07 — — EP claimed
US-20030069259-A1 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents AVENTISUB LLC 2003-04-10 — — US claimed
WO-2002042303-A2 ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS AVENTIS PHARMACEUTICALS INC. (US) 2002-05-30 — — WO claimed
US-5354495-A Homo- or copolymerizable through ethylenic unsaturation NIPPON PAINT CO., LTD. (JP) 1994-10-11 — — US claimed
EP-0177122-B1 ACRYLAMIDE DERIVATIVES Nippon Paint Co., Ltd. (JP) 1992-04-01 — — EP claimed
US-4935413-A ELASTICITY, ADHESION AND DISPERSIBILITY NIPPON PAINT CO., LTD. (JP) 1990-06-19 — — US claimed
EP-0012361-B1 Amino-pyrimidine-carbanilides, process for their preparation, medicines containing them HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-30 — — EP claimed

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-20030069259-A1 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents BAD, BAX, MCL1 ALDH1A1 1022/4885KDM4E 3020/4885PKM 3387/4885

“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.