Sugi Predict

Sugi Predict / Compounds / SCHEMBL9560109

SCHEMBL9560109

SCHEMBL9560109

COc1ccc(C#N)c(C#N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.57
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ KDM4E B2RXH2 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ USP2 O75604 1/20 0.52
▸ TP53 P04637 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ AR P10275 3/20 0.50
▸ PGR P06401 2/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ GLA P06280 2/20 0.49
▸ GAA P10253 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA9 Q16790 1/20 0.48

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
SCHEMBL30730992 0.91 ALDH1A1 (0.63) MAOBNPC1RAB9AKDM4EALDH1A1
SCHEMBL1762094 0.91 ALDH1A1 (0.63) MAOBNPC1RAB9AKDM4EALDH1A1
SCHEMBL16962929 0.88 MAOB (0.47) MAOBNPC1RAB9AKDM4EALDH1A1
SCHEMBL30150440 0.88 NPC1 (0.51) MAOBNPC1RAB9AKDM4EALDH1A1
SCHEMBL523368 0.88 AR (0.60) MAOBKDM4EALDH1A1USP2AR
SCHEMBL15353788 0.83 AR (0.56) MAOBKDM4EALDH1A1ARPGR
SCHEMBL9034950 0.83 NPC1 (0.51) MAOBNPC1RAB9AKDM4EALDH1A1
SCHEMBL12299457 0.83 NPC1 (0.48) MAOBNPC1RAB9AKDM4EALDH1A1
SCHEMBL9034957 0.83 NPC1 (0.48) MAOBNPC1RAB9AKDM4EALDH1A1
SCHEMBL15201858 0.83 AR (0.47) MAOBNPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117736232-A Green synthesis method of high-yield alpha (beta) -tetra-substituent-dihydroxyl silicon phthalocyanine derivative 浙江工业大学 2024-03-22 — — CN disclosed
CN-112442284-B Isoindoline pigment and method for producing same 住友化学株式会社 2023-03-24 — — CN disclosed
CN-112521774-B Isoindoline pigment and method for producing same 住友化学株式会社 2022-07-08 — — CN disclosed
CN-108690372-B Isoindoline pigment and method for producing same 住友化学株式会社 2022-04-15 — — CN disclosed
CN-107024834-B Compound and coloring composition 住友化学株式会社 2021-11-23 — — CN disclosed
CN-107586469-B Pigment composition, coloring composition, and coloring curable composition 住友化学株式会社 2021-04-06 — — CN disclosed
CN-112521774-A Isoindoline pigment and method for producing same 住友化学株式会社 2021-03-19 — — CN disclosed
CN-112442284-A Isoindoline pigment and method for producing same 住友化学株式会社 2021-03-05 — — CN disclosed
CN-111808111-A Iridium complex, preparation method thereof and photodynamic therapeutic drug 深圳大学 2020-10-23 — — CN disclosed
US-20190284341-A1 3-OXO-2-ALKYLISOINDOLINE DIPHTHALONITRILE MONOMERS, METHODS OF MANUFACTURE, THERMOSETTING COMPOSITIONS COMPRISING THE SAME, AND USES THEREOF SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2019-09-19 — — US disclosed
US-20120232270-A1 HETEROAROMATIC PHTHALONITRILES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2012-09-13 — — US disclosed
US-8222403-B2 Heteroaromatic phthalonitriles THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2012-07-17 — — US disclosed
US-8222403-B2 Heteroaromatic phthalonitriles THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2012-07-17 — — US disclosed
US-20110108755-A1 HETEROAROMATIC PHTHALONITRILES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-05-12 — — US disclosed
US-20110108755-A1 HETEROAROMATIC PHTHALONITRILES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2011-05-12 — — US disclosed
EP-0352182-B1 OCTASUBSTITUTED LITHIUM PHTHALOCYANINES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN EPR COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1993-05-05 — — EP disclosed
EP-0352182-A1 Octasubstituted lithium phthalocyanines, process for their preparation and their use in EPR COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1990-01-24 — — EP disclosed
EP-0032256-B1 PROCESS FOR THE MANUFACTURE OF METAL PHTHALOCYANINES BAYER AG (DE) 1983-06-29 — — EP disclosed
EP-0032256-A1 Process for the manufacture of metal phthalocyanines BAYER AG (DE) 1981-07-22 — — EP disclosed
US-3994921-A COLORING PLASTICS AND LACQUERS YELLOW CIBA-GEIGY CORPORATION (US) 1976-11-30 — — 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 (3 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-20120232270-A1 HETEROAROMATIC PHTHALONITRILES ARNT, PBRM1, NR4A1 MAOB 4053/4885NPC1 3434/4885RAB9A 4104/4885
US-20110108755-A1 HETEROAROMATIC PHTHALONITRILES ARNT, PBRM1, NR4A1 MAOB 4053/4885NPC1 3434/4885RAB9A 4104/4885
US-20190284341-A1 3-OXO-2-ALKYLISOINDOLINE DIPHTHALONITRILE MONOMERS, METHODS OF MANUFACTURE, THERMOSETTING COMPOSITIONS COMPRISING THE SAME, AND USES THEREOF CYP1B1, CYP2J2, CYP1A1 MAOB 3051/4885NPC1 2977/4885RAB9A 3763/4885

“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.