SCHEMBL982164

SCHEMBL982164

O=C(Cc1cccs1)N1CCC(c2ccco2)=N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.48
POLB P06746 5/20 0.48
ALDH1A1 P00352 9/20 0.47
HTT P42858 4/20 0.47
RAB9A P51151 3/20 0.47
LMNA P02545 3/20 0.47
PKM P14618 2/20 0.47
MITF O75030 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
MAPT P10636 3/20 0.45
RECQL P46063 1/20 0.45
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL982034 0.83 ALDH1A1 (0.50) KDM4EPOLBALDH1A1HTTRAB9A
SCHEMBL17004389 0.81 ALDH1A1 (0.50) KDM4EPOLBALDH1A1RAB9APKM
SCHEMBL981923 0.79 POLB (0.41) KDM4EPOLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL981784 0.79 ALDH1A1 (0.49) KDM4EPOLBALDH1A1HTTRAB9A
SCHEMBL982617 0.79 ALDH1A1 (0.53) KDM4EPOLBALDH1A1HTTRAB9A
SCHEMBL981499 0.76 ALDH1A1 (0.45) KDM4EPOLBALDH1A1HTTRAB9A
SCHEMBL982365 0.76 KDM4E (0.55) KDM4EPOLBALDH1A1HTTRAB9A
SCHEMBL980554 0.75 HPGD (0.48) KDM4EPOLBALDH1A1RAB9ALMNA
SCHEMBL982411 0.75 MAPT (0.55) KDM4EPOLBALDH1A1HTTRAB9A
SCHEMBL984588 0.75 SMN1; SMN2 (0.54) KDM4EPOLBALDH1A1HTTRAB9A

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
EP-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP claimed
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 claimed
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US claimed
EP-1917248-B1 1-ACYLDIHYDROPYRAZOL DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-19 EP disclosed
CN-101243048-A 1-acyldihydropyrazol derivatives MERCK PATENT GMBH (DE) 2008-08-13 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 (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 KDM4E 1005/4885POLB 3230/4885ALDH1A1 399/4885

“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.