SCHEMBL4163353

SCHEMBL4163353

C(=Cc1ccccc1-n1cccn1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
NPC1 O15118 1/20 0.47
NR1H2 P55055 2/20 0.43
NFE2L2 Q16236 4/20 0.42
TRPA1 O75762 2/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
G6PD P11413 1/20 0.41
KMT2A Q03164 1/20 0.41
ATP4A P20648 2/20 0.40
ATP4B P51164 2/20 0.40
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CYP24A1 Q07973 2/20 0.37

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
SCHEMBL4163348 1.00 MAPK1 (0.47) MAPK1NPC1NR1H2NFE2L2TRPA1
SCHEMBL4155688 0.83 NFE2L2 (0.42) MAPK1NPC1NFE2L2TRPA1KDM4E
SCHEMBL4155690 0.83 NFE2L2 (0.42) MAPK1NPC1NFE2L2TRPA1KDM4E
SCHEMBL13351494 0.81 MAPK1 (0.49) MAPK1NPC1KDM4EALDH1A1MEN1
SCHEMBL3863178 0.79 NR1H2 (0.42) NR1H2NFE2L2TRPA1KDM4EATP4A
SCHEMBL8090136 0.79 NR1H2 (0.42) NR1H2NFE2L2TRPA1KDM4EATP4A
SCHEMBL284595 0.77 NR1H2 (0.50) NR1H2NFE2L2TRPA1KDM4EMEN1
SCHEMBL31422584 0.77 NR1H2 (0.50) NR1H2NFE2L2TRPA1KDM4EMEN1
SCHEMBL284597 0.77 NR1H2 (0.50) NR1H2NFE2L2TRPA1KDM4EMEN1
SCHEMBL613201 0.77 ALDH1A1 (0.51) MAPK1NPC1KDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4172045-A Process for the manufacture of 2-stilbenyl-1,2,3-triazoles which contain carboxyl groups, novel 2-stilbenyl-1,2,3-triazoles which contain carboxyl groups and the use thereof as fluorescent brighteners CIBA-GEIGY CORPORATION (US) 1979-10-23 US claimed
US-8212048-B2 Method of producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-03 US disclosed
CN-101410375-B Process for producing aromatic compound SUMITOMO CO LTD 2012-06-13 CN disclosed
CN-101410375-A Process for producing aromatic compound SUMITOMO CHEMICAL CO (JP) 2009-04-15 CN disclosed
US-20090043096-A1 METHOD OF PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-12 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 (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-20090043096-A1 METHOD OF PRODUCING AROMATIC COMPOUND AHR, CYP1A1, ARNT MAPK1 1786/4885NPC1 1177/4885NR1H2 78/4885

“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.