SCHEMBL4988396

SCHEMBL4988396

CCOC(=O)C1CC(=O)NN1c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPEPPS P55786 1/20 0.43
SLC11A2 P49281 1/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 2/20 0.41
ATM Q13315 1/20 0.41
MAPK1 P28482 1/20 0.41
NOS2 P35228 1/20 0.40
CASP1 P29466 1/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
P2RX7 Q99572 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
SCHEMBL20028551 0.85 NPEPPS (0.39) NPEPPSRAB9ATP53HPGDALDH1A1
SCHEMBL4986818 0.81 RAB9A (0.43) NPEPPSRAB9ANPC1ALDH1A1MAPT
SCHEMBL4986575 0.81 CRBN (0.41) HPGDALDH1A1KDM4EMAPTHSD17B10
SCHEMBL29661865 0.81 CYP2C19 (0.44) NPEPPSTP53ALDH1A1KDM4EMAPT
SCHEMBL951112 0.81 CYP2C19 (0.44) NPEPPSTP53ALDH1A1KDM4EMAPT
SCHEMBL29661868 0.81 CYP2C19 (0.44) NPEPPSTP53ALDH1A1KDM4EMAPT
SCHEMBL16652517 0.78 NPEPPS (0.50) NPEPPSRAB9ANPC1ALDH1A1KDM4E
SCHEMBL29824417 0.77 CTSB (0.49) RAB9ANPC1ALDH1A1MAPTMAPK1
SCHEMBL28827456 0.77 CTSB (0.49) RAB9ANPC1ALDH1A1MAPTMAPK1
SCHEMBL4984554 0.77 ALDH1A1 (0.47) HPGDALDH1A1KDM4EMAPTHSD17B10

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111440144-A Method for industrially producing bromopyrazolic acid through micro-channel 山东华科化工有限公司 2020-07-24 CN claimed
CN-111440144-A Method for industrially producing bromopyrazolic acid through micro-channel 山东华科化工有限公司 2020-07-24 CN disclosed
EP-1417175-B1 SUBSTITUTED DIHYDRO 3-HALO-1H-PYRAZOLE-5-CARBOXYLATES, THEIR PREPARATION AND USE DU PONT (US) 2013-07-24 EP disclosed
US-7402676-B2 Substituted dihydro 3-halo-1H-pyrazole-5-carboxylates their preparation and use E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-22 US disclosed
US-20070203342-A1 Subtituted dihydro 3-halo-1H-pyrazole-5-carboxylates their preparation and use FMC CORPORATION 2007-08-30 US disclosed
US-7227025-B2 Substituted dihydro 3-halo-1H-pyrazole-T-carboxylates, their preparation and use E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-06-05 US disclosed
US-6965032-B2 Substituted dihydro 3-halo-1h-pyrazole-5-carboxylates and their preparation and use E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-11-15 US disclosed
US-20050245580-A1 Halogenation and oxidation of a 5-carboxyl-3-oxo-1-aryl-substituted-1H-pyrazolidine FMC CORPORATION 2005-11-03 US disclosed
US-20040198987-A1 Substituted dihydro 3-halo-1h-pyrazole-5-carboxylates their preparation and use FMC CORPORATION 2004-10-07 US disclosed
EP-1417175-A1 SUBSTITUTED DIHYDRO 3-HALO-1H-PYRAZOLE-5-CARBOXYLATES, THEIR PREPARATION AND USE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-05-12 EP disclosed
WO-2003016283-A1 SUBSTITUTED DIHYDRO 3-HALO-1H-PYRAZOLE-5-CARBOXYLATES THEIR PREPARATION AND USE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-02-27 WO 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 (3 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-20040198987-A1 Substituted dihydro 3-halo-1h-pyrazole-5-carboxylates their preparation and use CBR3, CBR1, CYP2F1 NPEPPS 4574/4885SLC11A2 4169/4885RAB9A 188/4885
US-20070203342-A1 Subtituted dihydro 3-halo-1H-pyrazole-5-carboxylates their preparation and use CBR3, CBR1, DHRS9 NPEPPS 4509/4885SLC11A2 4243/4885RAB9A 221/4885
US-20050245580-A1 Halogenation and oxidation of a 5-carboxyl-3-oxo-1-aryl-substituted-1H-pyrazolidine CBR3, CBR1, CYP2F1 NPEPPS 4590/4885SLC11A2 3135/4885RAB9A 494/4885

“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.