SCHEMBL980224

SCHEMBL980224

COc1ccc(C2=NN(C(=O)Cc3ccccc3)CC2)c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
NPC1 O15118 1/20 0.45
KDM4E B2RXH2 3/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 1/20 0.41
PKM P14618 2/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 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
SCHEMBL981598 0.86 KDM4E (0.48) KMT2ANPC1KDM4EALOX15ALDH1A1
SCHEMBL981809 0.83 ALDH1A1 (0.53) KMT2ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL980436 0.83 ALDH1A1 (0.50) KMT2ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL984737 0.83 POLB (0.47) KMT2AKDM4EALOX15ALDH1A1SMN1; SMN2
SCHEMBL979373 0.81 MAOB (0.67) KMT2ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL980134 0.79 ALDH1A1 (0.54) KMT2AALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL982142 0.79 L3MBTL1 (0.43) KMT2ANPC1KDM4EALOX15ALDH1A1
SCHEMBL979286 0.77 ALDH1A1 (0.71) KMT2AKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL981528 0.76 ALDH1A1 (0.54) KMT2AKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL4628233 0.76 ALDH1A1 (0.48) KMT2AKDM4EALDH1A1SMN1; SMN2HPGD

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 KMT2A 174/4885NPC1 3632/4885KDM4E 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.