Sugi Predict

Sugi Predict / Compounds / SCHEMBL809769

SCHEMBL809769

SCHEMBL809769

O=C(NCl)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.61
▸ HDAC3 O15379 1/20 0.61
▸ CA12 O43570 1/20 0.61
▸ CA1 P00915 1/20 0.61
▸ IDO1 P14902 1/20 0.61
▸ HDAC1 Q13547 1/20 0.61
▸ CA9 Q16790 1/20 0.61
▸ HDAC7 Q8WUI4 1/20 0.61
▸ HDAC2 Q92769 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ HDAC8 Q9BY41 1/20 0.61
▸ HDAC6 Q9UBN7 1/20 0.61
▸ NCOR2 Q9Y618 1/20 0.61
▸ GAA P10253 1/20 0.56
▸ PTGS2 P35354 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ CTDSP1 Q9GZU7 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ KMT2A Q03164 3/20 0.50

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 SCHEMBL27790926 0.97 ALOX15 (0.58) ALOX15HDAC3CA12CA1IDO1
Acetic Acid SCHEMBL29291114 0.93 HDAC3 (0.54) ALOX15HDAC3CA12CA1IDO1
SCHEMBL9849004 0.91 RAB9A (0.62) ALOX15HDAC3CA12CA1IDO1
SCHEMBL9157863 0.86 ALDH1A1 (0.48) ALOX15HDAC3CA12CA1IDO1
SCHEMBL992073 0.82 TSHR (0.60) ALOX15CA12CA1CA9ALDH1A1
SCHEMBL11875152 0.82 HDAC6 (0.52) HDAC1HDAC2HSD17B10HDAC8HDAC6
SCHEMBL9848995 0.81 L3MBTL1 (0.69) CA1HDAC1HDAC2HSD17B10HDAC8
SCHEMBL27515710 0.80 PKM (0.58) CA12CA1HDAC1CA9HDAC2
SCHEMBL9849005 0.78 AKR1C3 (0.61) HSD17B10GAANPC1RAB9AALDH1A1
SCHEMBL76489 0.78 ALDH1A1 (0.67) ALOX15HDAC3CA12CA1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107033157-B Bisbenzylisoquinoline derivative and application thereof in preparing medicament for treating or preventing tumor 贵州省中国科学院天然产物化学重点实验室 2020-05-05 — — CN claimed
CN-110291246-A The method for dyeing and foaming for thermoplastic polyurethane 亨茨曼国际有限公司 2019-09-27 — — CN claimed
CN-106699632-B Process for preparing 3-methylideneisoindol-1-one derivatives 苏州大学 2019-03-15 — — CN claimed
US-10189812-B2 Bi-benzyl isoquinoline derivative, preparation method and use thereof in hepatopathy treatment and prevention THE KEY LABORATORY OF CHEMISTRY FOR NATURAL PRODUC (CN) 2019-01-29 — — US claimed
US-20170260161-A1 BI-BENZYL ISOQUINOLINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF IN HEPATOPATHY TREATMENT AND PREVENTION VERSITECH LIMITED (CN) 2017-09-14 — — US claimed
US-9673408-B2 Luminescent diazabenzimidazole carbene metal complexes UDC IRELAND LIMITED (IE) 2017-06-06 — — US claimed
CN-106699632-A Process for preparing 3-methylideneisoindol-1-one derivatives 苏州大学 2017-05-24 — — CN claimed
CN-104254519-B Beta-alanine derivatives, pharmaceutically acceptable salts thereof, and pharmaceutical compositions containing the same as the active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-04-20 — — CN claimed
CN-103421028-B Vinorelbine derivative, its pharmaceutical composition and its production and use SHIJIAZHUANG YILING PHARMACEUTICAL CO., LTD. (CN) 2016-03-02 — — CN claimed
CN-104395302-A 1- [ m-carboxamido (hetero) aryl-methyl ] -heterocyclyl-carboxamide derivatives ACTELION PHARMACEUTICALS LTD 2015-03-04 — — CN claimed
US-4260540-A SPIN DYEING POLYACRYLONITRILE BAYER AKTIENGESELLSCHAFT (DE) 1981-04-07 — — US claimed
US-4225489-A Heterocyclic azo dyes and pigments containing 4-quinazolinone moieties BAYER AKTIENGESELLSCHAFT (DE) 1980-09-30 — — US claimed
US-4153608-A Anthraquinone vat dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1979-05-08 — — US claimed
US-4116953-A 2-PHENYL-3,1-BENZOXAZIN-4-ONES, PIGMENTS BASF AKTIENGESELLSCHAFT (DE) 1978-09-26 — — US claimed
US-4072463-A MONOAZO AND DISAZO DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DT) 1978-02-07 — — US claimed
US-4042591-A PIGMENTS, DISPERSE DYES SANDOZ LTD. (CH) 1977-08-16 — — US claimed
US-4022763-A Sulfaphenyl-azo-phenyl-azo-aminophenyl dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-05-10 — — US claimed
US-3978039-A POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-24 — — US claimed
US-3966703-A Asymmetrical frisazo dyestuffs derived from diazotized 2,7-diamino-carbazole BAYER AKTIENGESELLSCHAFT (DT) 1976-06-29 — — US claimed
US-3935208-A NATURAL OR REGENERATED CELLULOSE ALTERMATT HANS 1976-01-27 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20170260161-A1 BI-BENZYL ISOQUINOLINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF IN HEPATOPATHY TREATMENT AND PREVENTION SLC10A1, SLC10A2, CYP4B1 ALOX15 1969/4885HDAC3 1319/4885CA12 2475/4885
US-10189812-B2 Bi-benzyl isoquinoline derivative, preparation method and use thereof in hepatopathy treatment and prevention SLC10A1, SLC10A2, CYP4B1 ALOX15 1969/4885HDAC3 1319/4885CA12 2475/4885

“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.