SCHEMBL3063205

SCHEMBL3063205

O=C(Cl)C1CCCN(Cc2ccccc2)C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.69
ALDH1A1 P00352 4/20 0.69
HPGD P15428 1/20 0.69
CYP2D6 P10635 2/20 0.67
CYP3A4 P08684 3/20 0.66
CYP2C9 P11712 2/20 0.66
CYP1A2 P05177 2/20 0.66
TDP1 Q9NUW8 1/20 0.60
CYP2C19 P33261 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.58
ATM Q13315 1/20 0.58
GAA P10253 1/20 0.58
HTT P42858 2/20 0.58
PKM P14618 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NPC1 O15118 1/20 0.57
MAPK1 P28482 1/20 0.57
RAB9A P51151 1/20 0.57

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
Hydrochloric Acid SCHEMBL4505675 0.98 KDM4E (0.67) KDM4EALDH1A1HPGDCYP2D6CYP3A4
SCHEMBL29032382 0.91 S1PR5 (0.63) KDM4EALDH1A1HPGDCYP2D6CYP3A4
SCHEMBL3440339 0.91 S1PR5 (0.63) KDM4EALDH1A1HPGDCYP2D6CYP3A4
SCHEMBL18125935 0.89 ALDH1A1 (0.71) KDM4EALDH1A1HPGDCYP2D6CYP3A4
SCHEMBL3844177 0.89 ALDH1A1 (0.71) KDM4EALDH1A1HPGDCYP2D6CYP3A4
SCHEMBL5016390 0.88 MEN1 (0.65) KDM4EALDH1A1HPGDCYP2D6CYP3A4
SCHEMBL23182183 0.87 KDM4E (0.70) KDM4EALDH1A1HPGDCYP2D6CYP3A4
SCHEMBL2444402 0.87 GAA (0.77) KDM4EALDH1A1HPGDCYP2D6CYP3A4
SCHEMBL4512048 0.87 KDM4E (0.70) KDM4EALDH1A1HPGDCYP2D6CYP3A4
SCHEMBL24810668 0.87 KDM4E (0.67) KDM4EALDH1A1HPGDCYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KDM4E 4164/4885ALDH1A1 1930/4885HPGD 1746/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KDM4E 4164/4885ALDH1A1 1930/4885HPGD 1746/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 KDM4E 4164/4885ALDH1A1 1930/4885HPGD 1746/4885

“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.