Sugi Predict

Sugi Predict / Compounds / SCHEMBL964964

SCHEMBL964964

SCHEMBL964964

Nc1c(Br)cc(C(F)(F)F)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.44
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA3 P07451 1/20 0.41
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PTPN5 P54829 2/20 0.38
▸ IDO1 P14902 2/20 0.37
▸ NOS3 P29474 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ CES2 O00748 1/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ ADRB2 P07550 3/20 0.34
▸ GABRB3 P28472 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ GRM2 Q14416 1/20 0.33

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
SCHEMBL414157 0.88 ALDH1A1 (0.53) GAAMAPTALDH1A1CA1CA2
SCHEMBL29746207 0.88 ALDH1A1 (0.53) GAAMAPTALDH1A1CA1CA2
SCHEMBL29778868 0.86 CA1 (0.47) GAAMAPTALDH1A1CA1CA2
SCHEMBL2429565 0.86 POLB (0.41) GAAMAPTALDH1A1TSHRMAPK1
Hydrochloric Acid SCHEMBL8947519 0.86 ALDH1A1 (0.52) GAAMAPTALDH1A1CA1CA2
SCHEMBL21603365 0.86 CA1 (0.47) GAAMAPTALDH1A1CA1CA2
SCHEMBL5176788 0.84 CA1 (0.46) GAAMAPTALDH1A1CA1CA2
SCHEMBL29778899 0.84 CA1 (0.46) GAAMAPTALDH1A1CA1CA2
SCHEMBL7713740 0.84 CA1 (0.46) GAAMAPTALDH1A1CA1CA2
SCHEMBL1274565 0.80 GAA (0.46) GAAMAPTCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005100434-A1 HALOGEN CONTAINING EPOXY COMPOSITIONS AND THEIR PREPARATION UNIVERSITY OF NORTH TEXAS (US) 2005-10-27 — — WO claimed
US-20050228080-A1 Halogen containing epoxy compositions and their preparation UNIVERSITY OF NORTH TEXAS (US) 2005-10-13 — — US claimed
US-20260138956-A1 NOVEL COMPOUNDS AND USES THEREOF RECURSION PHARMACEUTICALS INC (US) 2026-05-21 — — US disclosed
US-12610730-B2 Metal complex and light emitting device CITY UNIVERSITY OF HONG KONG (HK) 2026-04-21 — — US disclosed
EP-4559525-A2 INHIBITING HUMAN INTEGRIN ALPHA4BETA7 Morphic Therapeutic, Inc. (US) 2025-05-28 — — EP disclosed
EP-4558493-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE Iambic Therapeutics, Inc. (US) 2025-05-28 — — EP disclosed
CN-119894880-A Quinazoline compounds and methods of use 依安彼克医疗有限公司 2025-04-25 — — CN disclosed
EP-4045039-B1 INHIBITING HUMAN INTEGRIN ALPHA4BETA7 MORPHIC THERAPEUTIC INC (US) 2025-04-23 — — EP disclosed
CN-119192137-A Inhibition of human integrin alpha4β7 莫菲克医疗股份有限公司 2024-12-27 — — CN disclosed
US-20240174632-A1 INHIBITING HUMAN INTEGRIN (ALPHA-4) (BETA-7) MORPHIC THERAPEUTIC, INC. (US) 2024-05-30 — — US disclosed
US-20240092761-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. 2024-03-21 — — US disclosed
US-4379819-A OIL SOLUBLE MONOAZO DYE CIBA-GEIGY AG (CH) 1983-04-12 — — US disclosed
WO-1983000332-A1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES MAY & BAKER LTD (GB) 1983-02-03 — — WO disclosed
EP-0039312-A1 Colour photopgraphic material for the silver-dye bleaching process, process for the production of this material and its use in the production of photographic images CIBA-GEIGY AG (CH) 1981-11-04 — — EP disclosed
EP-0036081-A1 Azo dyestuffs as well as their preparation and their use in dyeing synthetic fibres BAYER AG (DE) 1981-09-23 — — EP disclosed
US-4237048-A COLORFASTNESS; FOR DYEING NATURAL AND SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1980-12-02 — — US disclosed
US-4105655-A PHENYL-AZO-ANILINO DYESTUFF BAYER AKTIENGESELLSCHAFT (DE) 1978-08-08 — — US disclosed
US-4083844-A Phenylazo orthocyano phenylazo or orthocyano phenylazo phenylazo containing dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1978-04-11 — — US disclosed
US-3978040-A Process for the preparation of cyanoazo compounds by reacting halogenoazo compounds with CuCN in an aqueous media in the presence of a nitrogen base BAYER AKTIENGESELLSCHAFT (DT) 1976-08-31 — — US disclosed
US-3962209-A PROCESS FOR PREPARING AZO DYESTUFFS WITH ORTHO-AZO CYANO GROUPS BY CYANO EXCHANGE OF METAL CYANIDES AND HALO DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-06-08 — — 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-20260138956-A1 NOVEL COMPOUNDS AND USES THEREOF SLC10A1, NR3C2, CYP2C8 GAA 238/4885MAPT 3402/4885ALDH1A1 230/4885
US-20240092761-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE CCNI, CDK3, CDK1 GAA 913/4885MAPT 3577/4885ALDH1A1 568/4885
US-12610730-B2 Metal complex and light emitting device OPRD1, OCIAD2, ORC3 GAA 4797/4885MAPT 1899/4885ALDH1A1 4413/4885
US-20240174632-A1 INHIBITING HUMAN INTEGRIN (ALPHA-4) (BETA-7) ITGB7, ITGB4, ITGA4 GAA 792/4885MAPT 3333/4885ALDH1A1 1165/4885

“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.