SCHEMBL3607086

SCHEMBL3607086

Cc1sc(NC(=N)N)nc1-c1ccccc1OCCN1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
MCHR1 Q99705 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3613064 0.82 ALDH1A1 (0.47) TDP1KDM4EHRH3CYP1A2HSD17B10
SCHEMBL3608066 0.80 MCHR1 (0.46) TDP1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL3607131 0.72 ATP4A (0.43) KDM4ESMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL3598191 0.68 ALOX5 (0.63) KDM4ESMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL8637694 0.68 TDP1 (0.56) TDP1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL8644219 0.68 TDP1 (0.56) TDP1KDM4ESMN1; SMN2HRH3MEN1
SCHEMBL8641045 0.67 TDP1 (0.61) TDP1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4088491 0.66 MAP3K7 (0.54) KDM4ESMN1; SMN2MEN1KMT2AGAA
SCHEMBL7012697 0.65 KDM4E (0.84) TDP1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL3612018 0.65 ACHE (0.57) HRH3MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US claimed
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 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 (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-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 TDP1 20/4885KDM4E 4351/4885SMN1; SMN2 96/4885

“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.