SCHEMBL980136

SCHEMBL980136

Brc1ccc(N2CCC=N2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
CYP2A6 P11509 1/20 0.33
TSHR P16473 1/20 0.32
AKR1C3 P42330 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL11401374 0.89 TP53 (0.47) TP53
SCHEMBL44773 0.78 TP53 (0.48) TP53
SCHEMBL17915946 0.75 TP53 (0.43) TP53TSHRHRH3
SCHEMBL24527435 0.75 ACHE (0.44) TP53TSHRAKR1C3HRH3
SCHEMBL8600641 0.71 ALDH1A1 (0.41) TP53TSHR
SCHEMBL11186135 0.67 MEN1 (0.44) TP53TSHR
SCHEMBL24527388 0.67 ALOX5 (0.37) TP53
SCHEMBL10655726 0.66 ADRA2C (0.47) TP53TSHR
SCHEMBL31252540 0.64 AKR1C3 (0.57) CYP2A6AKR1C3
SCHEMBL14038465 0.62 LMNA (0.33) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101910136-B Fluorescent agent having ethynyl group NIPPON CHEMICAL WORKS 2012-08-15 CN disclosed
US-7875644-B2 tyrosine kinase inhibitors, in particular Met kinase; antitumor agents;1-(Benzo-1,2,5-thiadiazol-5-ylmethylcarbonyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole; leukemia, carcinomas MERCK PATENT GMBH (DE) 2011-01-25 US disclosed
CN-101910136-A Fluorescent agent having ethynyl group NIPPON CHEMICAL WORKS 2010-12-08 CN disclosed
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 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-20080249095-A1 1-Acyldihydropyrazole Derivatives MET, FLT3, ERBB3 TP53 295/4885FAAH 1253/4885MGLL 3086/4885

“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.