SCHEMBL4981925

SCHEMBL4981925

CCOC(=O)c1cc(Cl)nn1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
PDE4D Q08499 1/20 0.56
TP53 P04637 2/20 0.52
ALOX12 P18054 1/20 0.52
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 1/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.52
POLB P06746 2/20 0.51
FAAH O00519 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
RECQL P46063 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50

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
SCHEMBL16651825 0.87 ALDH1A1 (0.51) LMNAPDE4DTP53ALDH1A1KDM4E
SCHEMBL6422295 0.86 KMT2A (0.65) LMNAPDE4DTP53ALOX12ALDH1A1
SCHEMBL19507067 0.84 LMNA (0.52) LMNAPDE4DTP53ALOX12ALDH1A1
SCHEMBL6415151 0.83 LMNA (0.56) LMNAPDE4DTP53ALOX12ALDH1A1
SCHEMBL19475586 0.83 ALDH1A1 (0.59) LMNAPDE4DTP53ALOX12ALDH1A1
SCHEMBL22896894 0.83 LMNA (0.56) LMNAPDE4DTP53ALOX12ALDH1A1
SCHEMBL14132421 0.82 LMNA (0.70) LMNATP53ALDH1A1KDM4EPOLB
SCHEMBL16112468 0.82 LMNA (0.73) LMNAPDE4DALDH1A1KDM4EHSD17B10
SCHEMBL6415169 0.82 LMNA (0.55) LMNAPDE4DTP53ALOX12ALDH1A1
SCHEMBL19507068 0.82 CA9 (0.54) LMNAPDE4DTP53ALOX12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO 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 (6 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 LMNA 2750/4885PDE4D 1404/4885TP53 3326/4885
US-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 LMNA 1415/4885PDE4D 1079/4885TP53 1804/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 LMNA 1105/4885PDE4D 1041/4885TP53 1368/4885
US-20070203342-A1 Subtituted dihydro 3-halo-1H-pyrazole-5-carboxylates their preparation and use CBR3, CBR1, DHRS9 LMNA 2609/4885PDE4D 476/4885TP53 2154/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 LMNA 1415/4885PDE4D 1079/4885TP53 1804/4885
US-20050245580-A1 Halogenation and oxidation of a 5-carboxyl-3-oxo-1-aryl-substituted-1H-pyrazolidine CBR3, CBR1, CYP2F1 LMNA 3053/4885PDE4D 1440/4885TP53 3218/4885

“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.