SCHEMBL982974

SCHEMBL982974

CCOc1ccc(C2=NN(C(=O)Cc3ccccc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.58
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 3/20 0.58
NPC1 O15118 2/20 0.46
HCRTR1 O43613 1/20 0.46
MAPT P10636 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.44
USP2 O75604 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 2/20 0.44
PKM P14618 1/20 0.44
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CTNNB1 P35222 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GPR183 P32249 2/20 0.43

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
SCHEMBL984394 0.90 SMN1; SMN2 (0.70) RAB9AHPGDSMN1; SMN2ALDH1A1NPC1
SCHEMBL981747 0.89 ALDH1A1 (0.56) RAB9AHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL979286 0.88 ALDH1A1 (0.71) RAB9AHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL979306 0.87 ALDH1A1 (0.60) RAB9AHPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL981651 0.85 ALDH1A1 (0.50) RAB9AHPGDSMN1; SMN2ALDH1A1NPC1
SCHEMBL980240 0.84 MAOB (0.53) RAB9AHPGDSMN1; SMN2ALDH1A1HCRTR1
SCHEMBL980150 0.82 ALDH1A1 (0.76) RAB9AHPGDSMN1; SMN2ALDH1A1NPC1
SCHEMBL979242 0.82 ALDH1A1 (0.56) RAB9AHPGDSMN1; SMN2ALDH1A1HCRTR1
SCHEMBL12922889 0.82 MAOB (0.50) RAB9AHPGDSMN1; SMN2ALDH1A1HCRTR1
SCHEMBL981780 0.81 ALDH1A1 (0.48) RAB9AHPGDSMN1; SMN2ALDH1A1HCRTR1

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 RAB9A 2347/4885HPGD 2204/4885SMN1; 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.