SCHEMBL7596019

SCHEMBL7596019

N#CC(C#N)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
KEAP1 Q14145 1/20 0.38
MAPT P10636 5/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PGR P06401 1/20 0.36
TSHR P16473 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
FBP1 P09467 1/20 0.32
CCR1 P32246 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL10640503 0.87 ALOX5 (0.42) ALOX5CES2CES1KEAP1MAPT
SCHEMBL963358 0.81 ALOX5 (0.39) ALOX5CES2CES1KEAP1MAPT
SCHEMBL6495803 0.77
SCHEMBL5582105 0.77
SCHEMBL6814438 0.77
SCHEMBL9274944 0.77 ALOX5 (0.37) ALOX5CES2CES1KEAP1MAPT
SCHEMBL6997313 0.77
SCHEMBL9442383 0.77
SCHEMBL10458682 0.76 ALOX5 (0.43) ALOX5CES2CES1KEAP1MAPT
Hydrochloric Acid SCHEMBL7379082 0.76 ALOX5 (0.40) ALOX5CES2CES1KEAP1MAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116769205-A Preparation method and application of anti-blue light film based on TB-thiophene malononitrile derivative 江苏师范大学 2023-09-19 CN disclosed
US-20230143982-A1 PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, OPTICAL SENSOR, AND COMPOUND FUJIFILM CORPORATION (JP) 2023-05-11 US disclosed
US-20230143982-A1 PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, OPTICAL SENSOR, AND COMPOUND FUJIFILM CORPORATION (JP) 2023-05-11 US disclosed
WO-2016124694-A1 LIGHT ABSORBER Technische Universität Dresden (DE) 2016-08-11 WO disclosed
EP-0943661-B1 Chromophoric compounds and their preparation process SIEMENS AG (DE) 2002-10-23 EP disclosed
US-6353059-B2 CROSSLINKING; STABLE MOLECULAR ORIENTATION SIEMENS AKTIENGESELLSCHAFT (DE) 2002-03-05 US disclosed
US-20010053818-A1 Polyadducts produced from nonlinear-optically active copolymers and polymerizable nonlinear-optically active monomers SIEMENS AKTIENGESELLSCHAFT 2001-12-20 US disclosed
US-6284889-B1 E.G, 9-(N-(N-HEPTYL)-N-(2-HYDROXYETHYL)AMINO)BENZO(D)ISOTHIAZOLO(3, 3A, 4-AB)PHEN-7,12-OXAZINE 4-DIOXIDE. SIEMENS AKTIENGESELLSCHAFT (DE) 2001-09-04 US disclosed
US-6228977-B1 HEAT RESISTANT, MOLECULAR ORIENTATION-STABLE MATERIAL PREPARED FROM NONLINEAR OPTICALLY ACTIVE CHROMOGEN COVALENTLY BOUND TO A CROSSLINKABLE OLIGO- OR POLYCYANURATE AND CURED; ELECTRO-OPTICAL DEVICES SIEMENS AKTIENGESELLSCHAFT (DE) 2001-05-08 US disclosed
US-6174961-B1 OPTICAL POLYMERS SIEMENS AKTIENGESELLSCHAFT (DE) 2001-01-16 US disclosed
EP-0943661-A2 Chromophoric compounds and their preparation process SIEMENS AKTIENGESELLSCHAFT (DE) 1999-09-22 EP disclosed
EP-0941990-A2 Process for the preparation of azamethines and azamethines obtained thereby SIEMENS AKTIENGESELLSCHAFT (DE) 1999-09-15 EP 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-20010053818-A1 Polyadducts produced from nonlinear-optically active copolymers and polymerizable nonlinear-optically active monomers PARG, PARN, ACMSD ALOX5 98/4885CES2 1134/4885CES1 3914/4885

“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.