SCHEMBL2007079

SCHEMBL2007079

Cc1cncc(N2CCCNCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
HTR1A P08908 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PIM1 P11309 11/20 0.52
PIM3 Q86V86 11/20 0.52
PIM2 Q9P1W9 11/20 0.52
ROCK2 O75116 2/20 0.52
ROCK1 Q13464 2/20 0.52
CHRNB2 P17787 3/20 0.48
CHRNA4 P43681 3/20 0.48

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
SCHEMBL1026934 0.93 HTR2C (0.64) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9885016 0.84 PDE10A (0.47) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL12677961 0.83 CRHBP (0.49) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL6360772 0.81 ALDH1A1 (0.87) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL12685315 0.77 HTR3E (0.58) KDM4EALDH1A1CYP1A2CYP3A4HTR1A
SCHEMBL16707791 0.75 ADRB2 (0.53) HTR1AHTR2ACHRNB2CHRNA4CHRNA1
SCHEMBL6358822 0.74 ROCK2 (0.47) ROCK2ROCK1CHRNB2CHRNA4
SCHEMBL14538237 0.74 CASP1 (0.56) KMT2APIM1PIM3PIM2ROCK2
SCHEMBL1713997 0.74 KMT2A (0.40) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL2401439 0.74 HTR3A (0.58) KDM4EALDH1A1CYP1A2HRH4

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
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 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 (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-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP KDM4E 4180/4885MEN1 4386/4885ALDH1A1 608/4885

“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.