SCHEMBL1839002

SCHEMBL1839002

Cc1nccn1Cc1ccc(-c2ccccc2N)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GRM2 Q14416 1/20 0.44
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 0.44
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GPR142 Q7Z601 1/20 0.39
JAK2 O60674 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 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
Hydrochloric Acid SCHEMBL7837414 0.99 LMNA (0.51) LMNAL3MBTL1GRM2AGTR1AGTR2
SCHEMBL15071657 0.86 LMNA (0.55) LMNAL3MBTL1GRM2AGTR1AGTR2
SCHEMBL31729500 0.82 LMNA (0.68) LMNAL3MBTL1GRM2ALDH1A1GPR142
SCHEMBL2549064 0.81 AGTR1 (0.55) LMNAL3MBTL1GRM2AGTR1AGTR2
SCHEMBL1844592 0.80 LMNA (0.49) LMNAL3MBTL1AGTR1AGTR2
SCHEMBL31270697 0.80 LMNA (0.74) LMNAL3MBTL1ALDH1A1HSD17B10
SCHEMBL277927 0.79 LMNA (0.64) LMNAL3MBTL1GRM2CYP11B1CYP11B2
SCHEMBL81625 0.78 LMNA (0.63) LMNAL3MBTL1ALDH1A1HSD17B10NPC1
Benzene SCHEMBL27902631 0.78 LMNA (0.63) LMNAL3MBTL1ALDH1A1HSD17B10NPC1
SCHEMBL1844372 0.78 LMNA (0.47) LMNAL3MBTL1GRM2AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236843-B2 Anti inflammatory compounds ELDER PHARMACEUTICALS LTD. (IN) 2012-08-07 US disclosed
US-8236843-B2 Anti inflammatory compounds ELDER PHARMACEUTICALS LTD. (IN) 2012-08-07 US disclosed
US-8236843-B2 Anti inflammatory compounds ELDER PHARMACEUTICALS LTD. (IN) 2012-08-07 US disclosed
US-20110263543-A1 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2011-10-27 US disclosed
US-20110263543-A1 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2011-10-27 US disclosed
US-20110263543-A1 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2011-10-27 US disclosed
EP-2321281-A2 ANTI INFLAMMATORY COMPOUNDS Elder Pharmaceuticals Ltd (IN) 2011-05-18 EP disclosed
WO-2010029576-A2 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2010-03-18 WO disclosed
WO-2010029576-A2 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2010-03-18 WO 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-20110263543-A1 ANTI INFLAMMATORY COMPOUNDS IL1B, LITAF, IL6 LMNA 2386/4885L3MBTL1 4726/4885GRM2 4007/4885

“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.