SCHEMBL3607443

SCHEMBL3607443

N=C(N)Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
MAPT P10636 11/20 0.67
HPGD P15428 2/20 0.67
RAB9A P51151 9/20 0.64
LMNA P02545 5/20 0.64
NPSR1 Q6W5P4 1/20 0.64
SMN1; SMN2 Q16637 8/20 0.64
KMT2A Q03164 5/20 0.64
MEN1 O00255 4/20 0.64
MAPK1 P28482 3/20 0.64
HTT P42858 2/20 0.64
GAA P10253 1/20 0.64
POLB P06746 1/20 0.56
NPC1 O15118 7/20 0.52
KDM4E B2RXH2 4/20 0.47
GSTO1 P78417 1/20 0.47

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
SCHEMBL172246 0.81 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3604856 0.80 MAPT (0.52) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10663004 0.79 MAPT (0.66) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3599748 0.78 NPC1 (0.70) ALDH1A1MAPTRAB9ALMNASMN1; SMN2
SCHEMBL19627036 0.78 ALDH1A1 (0.76) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4265176 0.76 POLB (0.75) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL19625385 0.75 MAPT (0.71) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4267996 0.75 POLB (0.77) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4265194 0.75 ALDH1A1 (0.71) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4786702 0.75 ALDH1A1 (0.72) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US claimed
CN-101466692-A Thiazol-guanidine derivatives useful as a (beta) - related pathologies ASTRAZENECA AB (SE) 2009-06-24 CN claimed
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US disclosed
CN-101466692-A Thiazol-guanidine derivatives useful as a (beta) - related pathologies ASTRAZENECA AB (SE) 2009-06-24 CN disclosed
EP-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 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-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 ALDH1A1 1302/4885CYP1A2 3908/4885CYP3A4 4644/4885

“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.