SCHEMBL983114

SCHEMBL983114

COc1ccc(OC)c(C2=NN(C(=O)Cc3cccs3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
KDM4E B2RXH2 6/20 0.52
MAPT P10636 3/20 0.52
MAPK1 P28482 1/20 0.52
POLB P06746 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
USP2 O75604 1/20 0.50
GFER P55789 1/20 0.49
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
HSD17B10 Q99714 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
GAA P10253 3/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 3/20 0.41
ESR1 P03372 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
SCHEMBL984588 0.88 SMN1; SMN2 (0.54) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL984737 0.85 POLB (0.47) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL980436 0.83 ALDH1A1 (0.50) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL981528 0.83 ALDH1A1 (0.54) MEN1KMT2AKDM4EMAPTL3MBTL1
SCHEMBL4628233 0.82 ALDH1A1 (0.48) MEN1KMT2AKDM4EMAPTL3MBTL1
SCHEMBL980061 0.80 KMT2A (0.48) KMT2AKDM4EMAPTL3MBTL1GFER
SCHEMBL982034 0.76 ALDH1A1 (0.50) MEN1KMT2AKDM4EMAPTPOLB
SCHEMBL981809 0.75 ALDH1A1 (0.53) MEN1KMT2AKDM4EPOLBL3MBTL1
SCHEMBL980134 0.75 ALDH1A1 (0.54) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL981501 0.74 KMT2A (0.42) MEN1KMT2AKDM4EMAPTPOLB

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
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

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 MEN1 221/4885KMT2A 174/4885KDM4E 1005/4885

“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.