SCHEMBL15944879

SCHEMBL15944879

CC(C)(C)/C=N/Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
THRB P10828 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SLC6A2 P23975 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
NOS2 P35228 1/20 0.39
TRPA1 O75762 1/20 0.39
CYP3A4 P08684 1/20 0.39
MIF P14174 1/20 0.39
LMNA P02545 2/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL14034153 1.00 MAPT (0.41) MAPTALDH1A1HPGDKDM4ETHRB
SCHEMBL8545241 1.00 MAPT (0.41) MAPTALDH1A1HPGDKDM4ETHRB
SCHEMBL29159465 0.79 SLC6A2 (0.44) MAPTKDM4ESMN1; SMN2POLBSLC6A2
SCHEMBL29159444 0.79 TAAR1 (0.43) GAATAAR1NPC1MAOB
SCHEMBL30799472 0.79 TAAR1 (0.43) GAATAAR1NPC1MAOB
SCHEMBL27393645 0.78 MAPT (0.41) MAPTALDH1A1HPGDKDM4ETHRB
SCHEMBL7764872 0.77 CYP3A4 (0.47) MAPTALDH1A1HPGDKDM4ETHRB
SCHEMBL29159442 0.77 CYP1A2 (0.48) RAB9AKMT2A
SCHEMBL7764876 0.77 CYP3A4 (0.47) MAPTALDH1A1HPGDKDM4ETHRB
SCHEMBL9845929 0.77 ATM (0.39) MAPTALDH1A1HPGDKDM4ETHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117603248-A Alkynyl-containing aromatic amine compound and preparation method thereof 西南医科大学 2024-02-27 CN disclosed
US-20170101429-A1 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-04-13 US disclosed
US-20170101429-A1 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-04-13 US disclosed
US-20170081346-A1 MESOSCOPIC MATERIALS COMPRISED OF ORDERED SUPERLATTICES OF MICROPOROUS METAL-ORGANIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-03-23 US disclosed
US-20140228579-A1 METHOD FOR THE CATALYTIC REDUCTION OF ACID CHLORIDES AND IMIDOYL CHLORIDES Brock Unviersity (CA) 2014-08-14 US disclosed
US-20140228579-A1 METHOD FOR THE CATALYTIC REDUCTION OF ACID CHLORIDES AND IMIDOYL CHLORIDES Brock Unviersity (CA) 2014-08-14 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-20170081346-A1 MESOSCOPIC MATERIALS COMPRISED OF ORDERED SUPERLATTICES OF MICROPOROUS METAL-ORGANIC FRAMEWORKS MCM2, YTHDF2, MCM6 MAPT 617/4885ALDH1A1 2926/4885HPGD 2831/4885
US-20170101429-A1 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS EPCAM, SOD1, SBDS MAPT 1623/4885ALDH1A1 1971/4885HPGD 4637/4885
US-20140228579-A1 METHOD FOR THE CATALYTIC REDUCTION OF ACID CHLORIDES AND IMIDOYL CHLORIDES CA6, RUVBL2, HACL2 MAPT 4794/4885ALDH1A1 4142/4885HPGD 3447/4885

“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.