Sugi Predict

Sugi Predict / Compounds / SCHEMBL8211010

SCHEMBL8211010

SCHEMBL8211010

Cc1ccc(CN)cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ CASP1 P29466 1/20 0.52
▸ CYP3A4 P08684 3/20 0.48
▸ LOXL2 Q9Y4K0 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 2/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ SKP2 Q13309 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38

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
Ammonia Solution, Strong SCHEMBL10940685 0.98 ALDH1A1 (0.50) ALDH1A1TDP1CASP1CYP3A4LOXL2
SCHEMBL6867025 0.83 ALDH1A1 (0.54) ALDH1A1TDP1CASP1CYP3A4MAPT
SCHEMBL4368721 0.82 CASP1 (0.54) ALDH1A1TDP1CASP1CYP3A4MAPT
SCHEMBL5005675 0.81 TDP1 (0.52) ALDH1A1TDP1CASP1CYP3A4MAPT
SCHEMBL2036306 0.81 SKP2 (0.59) ALDH1A1TDP1CYP3A4LOXL2MAPT
SCHEMBL39710 0.80 ALDH1A1 (0.46) ALDH1A1CYP3A4LOXL2HRH3CYP1A2
SCHEMBL29406921 0.80 ALDH1A1 (0.46) ALDH1A1CYP3A4LOXL2HRH3CYP1A2
SCHEMBL24021192 0.79 ALDH1A1 (0.50) ALDH1A1TDP1CASP1CYP3A4MAPT
SCHEMBL22503495 0.79 CYP3A4 (0.52) ALDH1A1TDP1CASP1CYP3A4MAPT
SCHEMBL14484028 0.79 ALDH1A1 (0.50) ALDH1A1TDP1CASP1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0091054-B1 1-ALKYL-2-ISOCYANATOMETHYL-ISOCYANATO PHENYL AND/OR 1-ALKYL-4-ISOCYANATOMETHYL-ISOCYANATO PHENYL, METHOD FOR THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1985-10-02 — — EP claimed
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 — — US disclosed
EP-3050919-A1 MIXTURES CONTAINING LIGNOCELLULOSIC MATERIALS WITH SALTS OF N-SUBSTITUTED CARBAMIC ACIDS BASF SE (DE) 2016-08-03 — — EP disclosed
CN-105693597-A New inhibitors of cyclophilins and uses thereof 国家健康与医学研究院（INSERM） 2016-06-22 — — CN disclosed
CN-102811998-B Novel cyclophilin inhibitors and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2016-03-30 — — CN disclosed
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP disclosed
WO-2015004481-A1 IMIDAZO-CONDENSED BICYCLES AS INHIBITORS OF DISCOIDIN DOMAIN RECEPTORS (DDRS) ASTEX THERAPEUTICS LIMITED (GB) 2015-01-15 — — WO disclosed
WO-2015004481-A1 IMIDAZO-CONDENSED BICYCLES AS INHIBITORS OF DISCOIDIN DOMAIN RECEPTORS (DDRS) ASTEX THERAPEUTICS LIMITED (GB) 2015-01-15 — — WO disclosed
EP-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 — — EP disclosed
CN-102811998-A Novel cyclophilin inhibitors and uses thereof INST NAT SANTE RECH MED 2012-12-05 — — CN disclosed
US-5441797-A Absorbs radiation in the 400 to 450 nm range by inclusion of a chromophore INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1995-08-15 — — US disclosed
US-5397684-A Antireflective polyimide dielectric for photolithography INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1995-03-14 — — US disclosed
EP-0128382-B1 1-ALKYL-2-ISOCYANATOMETHYL-ISOCYANATO-CYCLOHEXANES AND/OR 1-ALKYL-4-ISOCYANATO-METHYL-ISOCYANATO-CYCLOHEXANES AND THE LIKE DIAMINES, PROCESSES FOR THEIR PREPARATION, AND USE BASF Aktiengesellschaft (DE) 1989-09-27 — — EP disclosed
EP-0091054-B1 1-ALKYL-2-ISOCYANATOMETHYL-ISOCYANATO PHENYL AND/OR 1-ALKYL-4-ISOCYANATOMETHYL-ISOCYANATO PHENYL, METHOD FOR THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1985-10-02 — — EP disclosed
US-4512929-A POLYURETHANE MONOMERS, PLANT SAFENING AGENT BASF AKTIENGESELLSCHAFT (DE) 1985-04-23 — — US disclosed
EP-0128382-A1 1-Alkyl-2-isocyanatomethyl-isocyanato-cyclohexanes and/or 1-alkyl-4-isocyanato-methyl-isocyanato-cyclohexanes and the like diamines, processes for their preparation, and use BASF Aktiengesellschaft (DE) 1984-12-19 — — EP disclosed
EP-0091054-A1 1-Alkyl-2-isocyanatomethyl-isocyanato phenyl and/or 1-alkyl-4-isocyanatomethyl-isocyanato phenyl, method for their preparation and use BASF Aktiengesellschaft (DE) 1983-10-12 — — EP disclosed
EP-0089101-A2 Direct positive image-forming process KONICA CORPORATION (JP) 1983-09-21 — — EP disclosed
US-4217272-A DYEING CELLULOSIC FIBERS STERLING DRUG INC. (US) 1980-08-12 — — US disclosed
US-4153598-A Monoazo and diazo colorants from aminoalkylanilines and bis(aminoalkyl)anilines STERLING DRUG INC. (US) 1979-05-08 — — 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 (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-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B ALDH1A1 1726/4885TDP1 8/4885CASP1 1232/4885

“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.