Sugi Predict

Sugi Predict / Compounds / SCHEMBL114128

SCHEMBL114128

SCHEMBL114128

Cc1cc2nc3cc(C)c(N)cc3[n+](-c3ccccc3)c2cc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.47
▸ RAB9A P51151 7/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ NLRP3 Q96P20 1/20 0.47
▸ TERT O14746 1/20 0.43
▸ NQO2 P16083 1/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ KDM4E B2RXH2 8/20 0.39
▸ MAPT P10636 7/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ HPGD P15428 4/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ USP2 O75604 3/20 0.39
▸ CACNA1B Q00975 2/20 0.39
▸ APBA1 Q02410 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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 SCHEMBL15265 1.00 NPC1 (0.47) NPC1RAB9AL3MBTL1NLRP3TERT
Hydrochloric Acid SCHEMBL29353138 1.00 NPC1 (0.47) NPC1RAB9AL3MBTL1NLRP3TERT
SCHEMBL31680480 1.00 NPC1 (0.47) NPC1RAB9AL3MBTL1NLRP3TERT
SCHEMBL12336666 0.97 NPC1 (0.45) NPC1RAB9AL3MBTL1NLRP3TERT
Butane SCHEMBL931598 0.94 NPC1 (0.49) NPC1RAB9AL3MBTL1NLRP3TERT
SCHEMBL9279411 0.91 NPC1 (0.41) NPC1RAB9AL3MBTL1NLRP3TERT
Hydrochloric Acid SCHEMBL20969348 0.91 NPC1 (0.60) NPC1RAB9AL3MBTL1NLRP3TERT
SCHEMBL20969285 0.91 NPC1 (0.60) NPC1RAB9AL3MBTL1NLRP3TERT
Hydrochloric Acid SCHEMBL11153458 0.89 NPC1 (0.40) NPC1RAB9AL3MBTL1NLRP3TERT
SCHEMBL14065809 0.89 NPC1 (0.45) NPC1RAB9AL3MBTL1NLRP3TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4137402-A Quaternary ammonium salts of dantrolene and clodanolene MORTON-NORWICH PRODUCTS, INC. (US) 1979-01-30 — — US claimed
EP-4291587-A1 PHOTOPOLYMERIZABLE HOE COMPOSITION Xetos AG (DE) 2023-12-20 — — EP disclosed
US-20230331604-A1 METHOD FOR THE ELECTROCHEMICAL CONTROL OF THE PHOTOSYNTHETIC METABOLISM OF PURPLE NON-SULFUR BACTERIA AND REDOX MEDIATORS THEREOF ZUCCATO HC S.R.L. (IT) 2023-10-19 — — US disclosed
EP-4043961-B1 2K SYSTEM XETOS AG (DE) 2023-08-16 — — EP disclosed
EP-4043963-B1 IMPROVED BLEACHING XETOS AG (DE) 2023-07-05 — — EP disclosed
US-20230149399-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES USHER III INITIATIVE, INC. 2023-05-18 — — US disclosed
EP-3307742-B1 METHODS OF TREATING OR PREVENTING A PROTEOPATHY USHER III INITIATIVE INC (US) 2022-05-18 — — EP disclosed
WO-2021237084-A1 METHYLENE BLUE STABILIZED MRNA COMPOSITIONS MODERNATX, INC. (US) 2021-11-25 — — WO disclosed
US-10982343-B2 Plating compositions for electrolytic copper deposition, its use and a method for electrolytically depositing a copper or copper alloy layer onto at least one surface of a substrate ATOTECH DEUTSCHLAND GMBH (DE) 2021-04-20 — — US disclosed
US-20210063411-A1 DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY VENTANA MED SYST INC (US) 2021-03-04 — — US disclosed
US-7169535-B2 Photosensitive composition and photosensitive lithographic printing plate KONICA MINOLTA HOLDINGS, INC. (JP) 2007-01-30 — — US disclosed
EP-1727513-A1 HAIR COLORING AGENT CONTAINING INDIGOID VAT DYES Wella Aktiengesellschaft (DE) 2006-12-06 — — EP disclosed
WO-2005124456-A2 PHOTOPOLYMERISABLE COMPOSITION XETOS AG (DE) 2005-12-29 — — WO disclosed
WO-2005094763-A1 HAIR COLORING AGENT CONTAINING INDIGOID VAT DYES WELLA AKTIENGESELLSCHAFT (DE) 2005-10-13 — — WO disclosed
EP-1492494-A1 METHOD FOR TREATING HAIR WITH FORM MEMORY POLYMERS Mnemoscience GmbH (DE) 2005-01-05 — — EP disclosed
WO-2003084491-A1 METHOD FOR TREATING HAIR WITH FORM MEMORY POLYMERS MNEMOSCIENCE GMBH (DE) 2003-10-16 — — WO disclosed
EP-1185531-A1 CATIONIC PYRROLO-PYRROL-DERIVATIVES, METHOD FOR PRODUCING THEM AND COLORANTS FOR KERATIN FIBRES, CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2002-03-13 — — EP disclosed
WO-2001062759-A1 CATIONIC PYRROLO-PYRROL-DERIVATIVES, METHOD FOR PRODUCING THEM AND COLORANTS FOR KERATIN FIBRES, CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2001-08-30 — — WO disclosed
EP-0705597-A1 Process of direct hair dyeing using cationic direct dyes and steam L'OREAL (FR) 1996-04-10 — — EP disclosed
US-4137402-A Quaternary ammonium salts of dantrolene and clodanolene MORTON-NORWICH PRODUCTS, INC. (US) 1979-01-30 — — 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-20230149399-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES TNF, HLA-DRB1, GSTK1 NPC1 1858/4885RAB9A 2304/4885L3MBTL1 3209/4885

“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.