SCHEMBL186079

SCHEMBL186079

C#Cc1ccc(N(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
TSHR P16473 5/20 0.58
ALOX15 P16050 3/20 0.58
HSD17B10 Q99714 2/20 0.58
MAPK1 P28482 4/20 0.46
CYP3A4 P08684 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 2/20 0.46
HDAC8 Q9BY41 2/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC2A1 P11166 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2A13 Q16696 1/20 0.41
HPGD P15428 1/20 0.41
CHRM5 P08912 1/20 0.40
CHKA P35790 1/20 0.40

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
SCHEMBL21115255 0.93 ALDH1A1 (0.50) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL710659 0.93 ALDH1A1 (0.50) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL20005115 0.87 ALDH1A1 (0.44) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL21614158 0.82 CA12 (0.45) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL547220 0.78 ALDH1A1 (0.65) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL10300053 0.78 ALDH1A1 (0.65) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL1478591 0.78 HDAC8 (0.43) ALDH1A1CYP3A4TDP1HDAC8MAPT
SCHEMBL770159 0.78 ALDH1A1 (0.65) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL23310396 0.77 HDAC8 (0.37) ALDH1A1TSHRALOX15HSD17B10HDAC8
SCHEMBL24991575 0.77 CA12 (0.38) ALDH1A1TSHRALOX15HSD17B10HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116217324-B Preparation method of 1,3, 5-trisubstituted benzene compound 中国科学院化学研究所 2025-03-18 CN claimed
CN-118930499-B Benzothiazole fluorescent probe for detecting copper chlorate and preparation method thereof 安庆师范大学 2025-02-07 CN claimed
CN-118930499-A Benzothiazole fluorescent probe for detecting copper chlorate and preparation method thereof 安庆师范大学 2024-11-12 CN claimed
CN-114853685-B Broadband liquid crystal laser protection material prepared by multi-click chemistry and preparation method thereof 西北工业大学 2024-05-14 CN claimed
US-11814462-B2 Functionalized cyclic polymers and methods of preparing same UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-11-14 US claimed
CN-116751222-A Boron cluster circularly polarized luminescent material, and preparation method and application thereof 南京邮电大学 2023-09-15 CN claimed
CN-115785365-B Porous crystalline quinolyl organic framework rich in (N≡N) -coordination motifs, preparation method and application thereof 北京理工大学 2023-07-18 CN claimed
CN-116217324-A Preparation method of 1,3, 5-trisubstituted benzene compound 中国科学院化学研究所 2023-06-06 CN claimed
CN-114702437-B Sonogashira coupling method for heteroaryl phosphonium salt and terminal alkyne 南京工业大学 2023-05-30 CN claimed
CN-115785365-A Porous crystalline quinolyl organic framework rich in (N ^ N) -coordination elements, preparation method and application thereof 北京理工大学 2023-03-14 CN claimed
CN-110393984-A A kind of 4- dimethylamino phenylacetylene production line special dust seperator NANJING DALTON CHEMICAL TECH CO LTD 2019-11-01 CN claimed
US-10301330-B2 N, C-chelate four-coordinate organoborons with full colourtunability COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-05-28 US claimed
US-20180346490-A1 N, C-CHELATE FOUR-COORDINATE ORGANOBORONS WITH FULL COLOURTUNABILITY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-12-06 US claimed
WO-2016207910-A1 N, C-CHELATE FOUR-COORDINATE ORGANOBORONS WITH FULL COLOURTUNABILITY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-12-29 WO claimed
CN-104119690-B Seven-substituted coumarin derivative two-photon fluorescent dye and preparation method thereof 安徽大学 2016-06-29 CN claimed
CN-104059378-B Six-substituted coumarin derivative two-photon fluorescent dye and preparation method thereof ANHUI UNIVERSITY (CN) 2016-04-20 CN claimed
CN-104119690-A Seven-substituted coumarin derivative two-photon fluorescent dye and preparation method thereof UNIV ANHUI 2014-10-29 CN claimed
CN-104059378-A Six-substituted coumarin derivative two-photon fluorescent dye and preparation method thereof UNIV ANHUI 2014-09-24 CN claimed
US-8679621-B2 Materials and methods for autonomous restoration of electrical conductivity BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-03-25 US claimed
US-20120067615-A1 Materials and Methods for Autonomous Restoration of Electrical Conductivity THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-03-22 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-20180346490-A1 N, C-CHELATE FOUR-COORDINATE ORGANOBORONS WITH FULL COLOURTUNABILITY CNOT7, CDYL, CRY1 ALDH1A1 3195/4885TSHR 3492/4885ALOX15 4621/4885
US-10301330-B2 N, C-chelate four-coordinate organoborons with full colourtunability CNOT7, CDYL, CRY1 ALDH1A1 3195/4885TSHR 3492/4885ALOX15 4621/4885

“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.