SCHEMBL981944

SCHEMBL981944

O=C(c1ccc(CC(=O)N2CCC(c3ccc(Cl)s3)=N2)cc1)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 3/20 0.42
PDE4B Q07343 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
AKR1C3 P42330 1/20 0.41
SLC6A7 Q99884 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL983189 0.88 POLB (0.44) MAPTSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL981256 0.82 ALDH1A1 (0.48) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL982599 0.81 MEN1 (0.47) MAPTSMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL980584 0.81 GAA (0.45) MAPTSMN1; SMN2ALDH1A1TSHRKMT2A
SCHEMBL980582 0.81 ALDH1A1 (0.39) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL980745 0.80 EPHX2 (0.51) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL979274 0.79 KMT2A (0.45) MAPTSMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL979042 0.79 ALDH1A1 (0.55) MAPTSMN1; SMN2RAB9AALDH1A1HSD17B10
SCHEMBL981878 0.78 ALDH1A1 (0.44) MAPTSMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL982252 0.77 ALDH1A1 (0.43) MAPTSMN1; SMN2RAB9AALDH1A1HSD17B10

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 PHGDH 573/4885MAPT 4012/4885SMN1; SMN2 4245/4885

“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.