Sugi Predict

Sugi Predict / Compounds / SCHEMBL459552

SCHEMBL459552

SCHEMBL459552

CNc1ccc(C(N)(CCCN)c2ccc(NC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 11/20 0.41
▸ KCNH2 Q12809 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ APP P05067 5/20 0.32

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
SCHEMBL1822141 0.75 KIF11 (0.43) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL28118490 0.74 TDP1 (0.37) KIF11CYP3A4TSHR
SCHEMBL3630705 0.73 KIF11 (0.68) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL28118930 0.72 ALDH1A1 (0.43) KIF11KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL28118921 0.72 ALDH1A1 (0.43) KIF11KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL27673333 0.71 KIF11 (0.42) KIF11CYP3A4CA12CA1CA2
SCHEMBL854573 0.68 MAPT (0.46) APP
SCHEMBL28472455 0.67 KIF11 (0.59) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL16450924 0.67 APP (0.58) APP
SCHEMBL902585 0.65 KIF11 (0.57) KIF11KCNH2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6692537-B1 ENZYME OF 2-ELECTRON OXIDOREDUCTASE TYPE IN THE PRESENCE OF AT LEAST ONE DONOR FOR THE SAID ENZYME AND AT LEAST ONE NONIONIC FATTY SUCRONAMIDE L'OREAL S.A. (FR) 2004-02-17 — — US claimed
US-20010020310-A1 Compositions for dyeing keratinous fibres, containing 3-aminopyrazolo[1,5-a]pyrimidines, method of dyeing, and novel 3-aminopyrazolo[1,5-a]pyrimidines L'OREAL S.A. 2001-09-13 — — US claimed
CN-118488824-A Compositions, methods and kits for altering hair color 欧莱雅 2024-08-13 — — CN disclosed
WO-2024134667-A1 A DEVICE COMPRISING OXIDATIVE COMPOSITION FOR DYEING OF KERATIN FIBRES L'OREAL (FR) 2024-06-27 — — WO disclosed
WO-2023118332-A1 COMPOSITION COMPRISING TWO POLYOLS DIFFERENT FROM ONE ANOTHER, AN ALKALINE AGENT AND A DYE L'OREAL (FR) 2023-06-29 — — WO disclosed
CN-108472232-B Composition for dyeing hair comprising an oxidation base of the p-phenylenediamine type and a coupler of 2-amino-5-ethylphenol 莱雅公司 2022-02-18 — — CN disclosed
WO-2021083900-A1 METHOD FOR THE TREATMENT OF KERATIN FIBRES BY MEANS OF A COMPOSITION CONTAINING ARGININE AND OF AN OXIDIZING COMPOSITION L'OREAL (FR) 2021-05-06 — — WO disclosed
EP-3558464-A1 ANHYDROUS SOLID COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A METABISULFITE L'Oreal (FR) 2019-10-30 — — EP disclosed
WO-2019202140-A1 PROCESS FOR DYEING KERATIN FIBRES COMPRISING THE APPLICATION OF A CHROMENOL/CHROMEN-2-ONE DERIVATIVE, COMPOSITION AND DEVICE L'OREAL (FR) 2019-10-24 — — WO disclosed
WO-2018114885-A1 ANHYDROUS SOLID COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A METABISULFITE L'OREAL (FR) 2018-06-28 — — WO disclosed
EP-3233812-A1 CATIONIC BENZOXAZINE DERIVATIVES AND USE IN HAIR DYEING L'Oréal (FR) 2017-10-25 — — EP disclosed
EP-1242037-A1 SOLID COLORANT FOR KERATIN FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2002-09-25 — — EP disclosed
WO-2002046165-A1 DIAMINOPYRAZOLE DERIVATIVES AND THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2002-06-13 — — WO disclosed
WO-2002009661-A1 PYRROLYL-SUBSTITUTED NITROPHENOLS USED AS DIRECT COLORANTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-02-07 — — WO disclosed
EP-1137391-A1 METHOD FOR TREATING HAIR Novozymes A/S (DK) 2001-10-04 — — EP disclosed
WO-2001045655-A1 SOLID COLORANT FOR KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-06-28 — — WO disclosed
WO-2000032158-A1 METHOD FOR TREATING HAIR NOVOZYMES A/S (DK) 2000-06-08 — — WO disclosed
EP-0589952-B1 USE OF SUPLHUR METAAMINOPHENOLS FOR DYEING KERATINIC FIBRES, TINCTORIAL COMPOSITIONS AND NOVEL COMPOUNDS OREAL (FR) 1997-08-27 — — EP disclosed
EP-0589952-A1 USE OF SUPLHUROUS METAAMINOPHENOLS FOR DYING KERATINIC FIBRES, TINCTORIAL COMPOSITIONS AND NOVEL COMPOUNDS. OREAL (FR) 1994-04-06 — — EP disclosed
WO-1992022525-A1 USE OF SUPLHUROUS METAAMINOPHENOLS FOR DYING KERATINIC FIBRES, TINCTORIAL COMPOSITIONS AND NOVEL COMPOUNDS L'OREAL (FR) 1992-12-23 — — WO 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-20010020310-A1 Compositions for dyeing keratinous fibres, containing 3-aminopyrazolo[1,5-a]pyrimidines, method of dyeing, and novel 3-aminopyrazolo[1,5-a]pyrimidines DPYD, KRT18, PNPO KIF11 571/4885KCNH2 867/4885CYP3A4 940/4885

“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.