SCHEMBL529444

SCHEMBL529444

CC(C)(N)c1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.52
▸ ALDH1A1 P00352 7/20 0.50
▸ MAPT P10636 4/20 0.50
▸ MAPK1 P28482 4/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ KIF11 P52732 1/20 0.50
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ACHE P22303 1/20 0.43
▸ AKT1 P31749 1/20 0.41
▸ AKT2 P31751 1/20 0.41
▸ CYP3A4 P08684 5/20 0.40
▸ TDP1 Q9NUW8 4/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALOX15 P16050 3/20 0.38
▸ MAOB P27338 1/20 0.36

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 SCHEMBL3933817 0.97 PDE2A (0.50) PDE2AALDH1A1MAPTMAPK1NPC1
SCHEMBL1706121 0.87 PDE2A (0.62) PDE2AALDH1A1MAPTMAPK1NPC1
SCHEMBL18266009 0.86 ALDH1A1 (0.52) PDE2AALDH1A1MAPTMAPK1NPC1
SCHEMBL13784437 0.82 ALDH1A1 (0.50) PDE2AALDH1A1MAPTMAPK1NPC1
SCHEMBL23394996 0.81 KIF11 (0.50) PDE2AALDH1A1KIF11MEN1KMT2A
SCHEMBL678140 0.80 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL33319 0.79 RAB9A (0.73) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL676983 0.79 KIF11 (0.52) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL10799109 0.79 ALDH1A1 (0.52) PDE2AALDH1A1MAPTMAPK1NPC1
SCHEMBL2202087 0.79 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118043022-A Composition comprising a dye and an inorganic alkalizing agent 花王株式会社 2024-05-14 — — CN claimed
WO-2025054339-A1 TRIAZOLOPYRIDINE COMPOUNDS AS INHIBITORS OF KIT ARCUS BIOSCIENCES, INC. (US) 2025-03-13 — — WO disclosed
EP-4486462-A1 DYEING COMPOSITION IN AQUEOUS-ALCOHOLIC MEDIUM Kao Corporation (JP) 2025-01-08 — — EP disclosed
CN-118804737-A Dyeing composition in aqueous alcohol medium 花王株式会社 2024-10-18 — — CN disclosed
CN-118043022-A Composition comprising a dye and an inorganic alkalizing agent 花王株式会社 2024-05-14 — — CN disclosed
US-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2023-11-23 — — US disclosed
WO-2023161423-A1 DYEING COMPOSITION IN AQUEOUS-ALCOHOLIC MEDIUM KAO CORPORATION (JP) 2023-08-31 — — WO disclosed
CN-112209878-B Cannabinoid receptor light-operated ligand and preparation method and application thereof 上海科技大学 2022-07-05 — — CN disclosed
CN-114615967-A Two-component oxidation dyeing composition 花王株式会社 2022-06-10 — — CN disclosed
CN-113686796-A Water quality measuring device and method using multispectral sensor 淮北师范大学 2021-11-23 — — CN disclosed
CN-1303374-A Substituted indolinones, process for their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA (DE) 2001-07-11 — — CN disclosed
EP-1100779-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2001-05-23 — — EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 — — WO disclosed
WO-2001027080-A2 5-SUBSTITUTED INDOLINONES AND USE THEREOF AS KINASE AND CYCLIN/CDK COMPLEX INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 — — WO disclosed
WO-2001016130-A1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-08 — — WO disclosed
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 — — US disclosed
WO-1999062882-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 — — WO disclosed
US-4517357-A COLORING PAPER BAYER AKTIENGESELLSCHAFT (DE) 1985-05-14 — — US disclosed
US-4486348-A YELLOW COLOR ON PAPER BAYER AKTIENGESELLSCHAFT (DE) 1984-12-04 — — US disclosed
US-4276295-A VASODILATORS, HYPOTENSIVE, ANTIATHEROSCLEROTIC Ishikawa, Masayuki (JP) 1981-06-30 — — 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 (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-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, SMAD3 PDE2A 987/4885ALDH1A1 174/4885MAPT 3484/4885

“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.

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