SCHEMBL982358

SCHEMBL982358

O=C(Cc1ccccc1)N1CCC(c2ccc3c(c2)OCO3)=N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 2/20 0.46
ACHE P22303 1/20 0.46
TP53 P04637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP19A1 P11511 1/20 0.45
PKM P14618 1/20 0.44
PRKCZ Q05513 1/20 0.44
MCHR1 Q99705 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
EDNRB P24530 1/20 0.44
EDNRA P25101 1/20 0.44
DHODH Q02127 1/20 0.44

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
SCHEMBL981460 0.89 USP2 (0.45) HSD17B10NPC1RAB9AHPGDALDH1A1
SCHEMBL981735 0.86 ALDH1A1 (0.58) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL979547 0.85 RAB9A (0.50) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL980554 0.83 HPGD (0.48) ALOX15HSD17B10NPC1RAB9AHPGD
SCHEMBL6602802 0.82 MCHR1 (0.40) NPC1RAB9AALDH1A1ATMPRKCZ
SCHEMBL981651 0.82 ALDH1A1 (0.50) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL979242 0.79 ALDH1A1 (0.56) RAB9AHPGDALDH1A1MAPTATM
SCHEMBL12922889 0.79 MAOB (0.50) ALOX15RAB9AHPGDALDH1A1MAPT
SCHEMBL980240 0.79 MAOB (0.53) RAB9AHPGDTP53ALDH1A1MAPT
SCHEMBL979962 0.79 ORAI1 (0.57) ALDH1A1ATMPKMCYP1A2CYP2C9

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 ALOX15 3985/4885HSD17B10 691/4885NPC1 3632/4885

“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.