SCHEMBL6074740

SCHEMBL6074740

Cc1cc(C)cc(NCc2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.68
POLB P06746 1/20 0.54
NOS2 P35228 1/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 1/20 0.51
RECQL P46063 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
ADRA2A P08913 2/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
MAOB P27338 1/20 0.46
USP2 O75604 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
Bromide SCHEMBL27480159 0.98 HTT (0.66) HTTPOLBNOS2MAPTNPC1
Hydrochloric Acid SCHEMBL27300450 0.98 HTT (0.66) HTTPOLBNOS2MAPTNPC1
SCHEMBL27360703 0.91 HTT (0.58) HTTPOLBNOS2MAPTNPC1
SCHEMBL8058000 0.87 HTT (0.58) HTTPOLBNOS2MAPTNPC1
SCHEMBL30691783 0.87 HTT (0.58) HTTPOLBNOS2MAPTNPC1
SCHEMBL20411802 0.84 HTT (0.54) HTTPOLBMAPTNPC1RAB9A
SCHEMBL20804371 0.84 HTT (0.61) HTTNPC1MEN1CYP1A2CYP3A4
SCHEMBL259701 0.84 MAPT (0.65) HTTNOS2MAPTNPC1RECQL
SCHEMBL29038583 0.83 HTT (0.62) HTTNOS2MAPTNPC1RAB9A
SCHEMBL28606837 0.83 HTT (0.62) HTTPOLBMAPTMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111592505-A Synthesis method of iodine-catalyzed 2-substituted benzoselenazole compound 衡阳师范学院 2020-08-28 CN claimed
CN-101484524-B Method of preparing resin composition for artificial marble chip having high specific gravity and high index of refraction CHEIL INDUSTRIES INC. (KR) 2011-12-21 CN claimed
CN-101484524-A Method of preparing resin composition for artificial marble chip having high specific gravity and high index of refraction CHEIL IND INC (KR) 2009-07-15 CN claimed
CN-1032444-A Make polyacrylate polymers sulfurized vulcanization process without issue GOODRICH CO B F (US) 1989-04-19 CN claimed
CN-111592505-A Synthesis method of iodine-catalyzed 2-substituted benzoselenazole compound 衡阳师范学院 2020-08-28 CN disclosed
CN-110923744-A Method for constructing secondary amine compound through reductive amination reaction of electrochemical aldehyde 五邑大学 2020-03-27 CN disclosed
EP-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 EP disclosed
US-9067955-B2 Copper-catalyzed formation of carbon-heteroatom and carbon—carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-30 US disclosed
CN-102146007-B Method for preparing secondary amine and tertiary amine DALIAN CHEMICAL PHYSICS INST 2013-10-23 CN disclosed
CN-101484524-B Method of preparing resin composition for artificial marble chip having high specific gravity and high index of refraction CHEIL INDUSTRIES INC. (KR) 2011-12-21 CN disclosed
CN-101484524-A Method of preparing resin composition for artificial marble chip having high specific gravity and high index of refraction CHEIL IND INC (KR) 2009-07-15 CN disclosed
US-20060264673-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-11-23 US disclosed
US-7115784-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-10-03 US disclosed
US-20050215794-A1 Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-09-29 US disclosed
US-6867298-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2005-03-15 US disclosed
US-6759554-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-07-06 US disclosed
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 US disclosed
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 US disclosed
CN-1032444-A Make polyacrylate polymers sulfurized vulcanization process without issue GOODRICH CO B F (US) 1989-04-19 CN 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 (4 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-20060264673-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 HTT 1214/4885POLB 3522/4885NOS2 944/4885
US-20050215794-A1 Copper-catalyzed formation of carbon heteroatom and carbon-carbon bonds CBR3, ADH5, IDH1 HTT 986/4885POLB 3503/4885NOS2 1229/4885
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 HTT 1214/4885POLB 3522/4885NOS2 944/4885
US-20040019216-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 HTT 1214/4885POLB 3522/4885NOS2 944/4885

“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.