Sugi Predict

Sugi Predict / Compounds / SCHEMBL241836

SCHEMBL241836

SCHEMBL241836

[NH]c1cccc2cc3ccccc3cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ HSD17B10 Q99714 6/20 0.44
▸ HIF1A Q16665 4/20 0.44
▸ CYP1B1 Q16678 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP1A2 P05177 4/20 0.40
▸ ACHE P22303 2/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ AHR P35869 1/20 0.40
▸ HTR2A P28223 1/20 0.38
▸ NQO1 P15559 1/20 0.38
▸ HPGD P15428 5/20 0.38

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
SCHEMBL49402 0.76 ALDH1A1 (0.53) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL8059977 0.76 ALDH1A1 (0.53) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL23664 0.75 ALDH1A1 (0.72) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL29532882 0.75 ALDH1A1 (0.72) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL4848746 0.75 ALDH1A1 (0.72) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL4853659 0.75 ALDH1A1 (0.72) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL129325 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EGAAHSD17B10HIF1A
Anthracene SCHEMBL28787108 0.74 ALDH1A1 (0.53) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL2871930 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL15063036 0.73 ALDH1A1 (0.68) ALDH1A1KDM4EGAAHSD17B10HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115385933-A Compound, application thereof and organic electroluminescent device comprising compound 北京鼎材科技有限公司 2022-11-25 — — CN claimed
CN-113929712-B Simple preparation method of benzyl borate compound 山东大学 2022-11-18 — — CN claimed
CN-114763312-A Method for inducing H halogenation in C-H on benzene ring or heterocyclic ring by ultraviolet light 中国科学院大连化学物理研究所 2022-07-19 — — CN claimed
CN-113929714-A Preparation method of chiral benzyl silane compound 山东大学 2022-01-14 — — CN claimed
CN-113929712-A Simple preparation method of benzyl borate compound 山东大学 2022-01-14 — — CN claimed
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 — — US claimed
CN-113166120-B Compound and organic light emitting device comprising the same 株式会社LG化学 2024-07-12 — — CN disclosed
CN-118307465-A Organic compound, application thereof and organic electroluminescent device comprising same 北京鼎材科技有限公司 2024-07-09 — — CN disclosed
CN-118290451-A Organic compound and application thereof, and organic electroluminescent device comprising organic compound 北京鼎材科技有限公司 2024-07-05 — — CN disclosed
CN-118271186-A Organic compound and application thereof 北京鼎材科技有限公司 2024-07-02 — — CN disclosed
CN-118271345-A Polycyclic aromatic compound and application thereof 北京鼎材科技有限公司 2024-07-02 — — CN disclosed
CN-118285172-A Organic light emitting device 株式会社LG化学 2024-07-02 — — CN disclosed
CN-118271346-A Organic compound and application thereof, and organic electroluminescent device comprising organic compound 北京鼎材科技有限公司 2024-07-02 — — CN disclosed
EP-1474401-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2004-11-10 — — EP disclosed
US-6794390-B2 TREATING CELL PROLIFERATIVE DISORDERS SUCH AS RHEUMATOID ARTHRITIS, LUPUS, TYPE I DIABETES, MULTIPLE SCLEROSIS, CANCER, RESTENOSIS, HOST GRAFT DISEASE, GOUT, AND POLYCYSTIC KIDNEY DISEASE. CV THERAPEUTICS, INC. 2004-09-21 — — US disclosed
US-6790958-B2 ANTIPROLIFERATIVE AGENTS; FUNGICIDES LUM ROBERT T (US) 2004-09-14 — — US disclosed
US-20030236259-A1 Novel aryl- and heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC 2003-12-25 — — US disclosed
WO-2003066604-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2003-08-14 — — WO disclosed
EP-0562832-A1 Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use SANKYO COMPANY LIMITED (JP) 1993-09-29 — — EP disclosed
US-4254214-A BLACK, REDUCTION OF COPPER SALT OR COMPLEX TO COPPER FUJI PHOTO FILM CO., LTD. (JP) 1981-03-03 — — 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 (2 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-20030236259-A1 Novel aryl- and heteroarylpiperazines HRH3, HRH2, HRH4 ALDH1A1 2719/4885KDM4E 1574/4885GAA 2437/4885
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha IKBKB, NFKB1, CDK4 ALDH1A1 3492/4885KDM4E 289/4885GAA 4007/4885

“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.