Sugi Predict

Sugi Predict / Compounds / SCHEMBL3789462

SCHEMBL3789462

SCHEMBL3789462

COc1ccc(-c2ccccc2)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ CYP3A4 P08684 3/20 0.50
▸ THRB P10828 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2A6 P11509 2/20 0.50
▸ BACE1 P56817 1/20 0.50
▸ CYP1A1 P04798 1/20 0.50
▸ CYP2E1 P05181 1/20 0.50
▸ CYP2C8 P10632 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP4B1 P13584 1/20 0.50
▸ CYP2B6 P20813 1/20 0.50
▸ CYP3A5 P20815 1/20 0.50
▸ CYP2A7 P20853 1/20 0.50
▸ CYP3A7 P24462 1/20 0.50
▸ CYP2F1 P24903 1/20 0.50

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
Hydrochloric Acid SCHEMBL5065094 0.98 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTCYP3A4
SCHEMBL29492486 0.85 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MAPTCYP3A4
SCHEMBL3785577 0.85 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MAPTCYP3A4
SCHEMBL3794745 0.85 TDP1 (0.56) ALDH1A1KMT2AMEN1MAPTCYP3A4
SCHEMBL3789651 0.84 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1MAPTCYP3A4
SCHEMBL10340594 0.83 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1MAPTCYP3A4
SCHEMBL30839739 0.83 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1MAPTCYP3A4
SCHEMBL30839715 0.83 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1MAPTCYP3A4
Hydrochloric Acid SCHEMBL654303 0.83 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTCYP3A4
SCHEMBL3785422 0.82 SCN2A (0.54) ALDH1A1KMT2AMEN1MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115785131-B Method for synthesizing high-efficiency luminescent complex material with tunable luminescent wavelength 五邑大学 2024-05-17 — — CN claimed
WO-2001049686-A1 S-TRIAZINE DERIVATIVES AND THEIR USE AS UV FILTERS L'OREAL (FR) 2001-07-12 — — WO claimed
CN-117924369-A Phosphite group-containing carbazole polymerization inhibitor, preparation method and application thereof 万华化学集团股份有限公司 2024-04-26 — — CN disclosed
CN-117693505-A Heteroaryl derivative compounds and uses thereof 沃若诺伊公司 2024-03-12 — — CN disclosed
WO-2022259219-A1 NOVEL MELATONERGIC LIGANDS AND USES THEREOF GOBBI GABRIELLA (CA) 2022-12-15 — — WO disclosed
CN-110627721-B Phenanthridine compound and synthesis method thereof 陕西科技大学 2022-06-14 — — CN disclosed
US-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2021-04-06 — — US disclosed
CN-112250691-A Fluorane derivative probe for detecting hydrogen sulfide and preparation method and application thereof 沈阳感光化工研究院有限公司 2021-01-22 — — CN disclosed
CN-110713492-A Organic electroluminescent material and device 环球展览公司 2020-01-21 — — CN disclosed
CN-110627721-A Phenanthridine compound and synthesis method thereof 陕西科技大学 2019-12-31 — — CN disclosed
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2019-09-12 — — US disclosed
CN-1898217-A Benzo'1,4-diazepin-2-one derivatives as phosphodiesterase pde2 inhibitors, preparation and therapeutic use thereof NEURO3D (FR) 2007-01-17 — — CN disclosed
US-20060152143-A1 White-emitting compounds, process for the production thereof, and white-emitting devices HIROSE ENGINEERING CO., LTD. (JP) 2006-07-13 — — US disclosed
EP-1650208-A1 WHITE-EMITTING COMPOUNDS, PROCESS FOR THE PRODUCTION THEREOF, AND WHITE-EMITTING DEVICES HIROSE ENGINEERING CO., LTD. (JP) 2006-04-26 — — EP disclosed
WO-2001049686-A1 S-TRIAZINE DERIVATIVES AND THEIR USE AS UV FILTERS L'OREAL (FR) 2001-07-12 — — WO disclosed
WO-2001032605-A1 PROCESS FOR THE PREPARATION OF INSECTICIDAL PHENYLHYDRAZINE DERIVATIVES CROMPTON CORPORATION (US) 2001-05-10 — — WO disclosed
US-5948817-A Polycyclic ethyl alkylamide melatonergic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-07 — — US disclosed
WO-1998038991-A1 POLYCYCLIC ETHYL ALKYLAMIDE MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-09-11 — — WO disclosed
CN-1028521-C Therapeutic agents BOOTS CO PLC (GB) 1995-05-24 — — CN disclosed
CN-1072173-A Therapeutical agent BOOTS CO PLC (GB) 1993-05-19 — — CN 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 (3 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-10968198-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R ALDH1A1 3264/4885KMT2A 2283/4885MEN1 3635/4885
US-20060152143-A1 White-emitting compounds, process for the production thereof, and white-emitting devices IWS1, WNT1, CYP1A1 ALDH1A1 39/4885KMT2A 972/4885MEN1 1600/4885
US-20190276425-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R ALDH1A1 3264/4885KMT2A 2283/4885MEN1 3635/4885

“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.