SCHEMBL3598965

SCHEMBL3598965

N=C(N)Nc1nc(-c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
RECQL P46063 1/20 0.49
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
CTSV O60911 2/20 0.44
CTSL P07711 2/20 0.44
TP53 P04637 1/20 0.43
ATP4A P20648 1/20 0.43
ATP4B P51164 1/20 0.43
ENPP2 Q13822 1/20 0.43

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
SCHEMBL3608699 0.84 MEN1 (0.52) MEN1KMT2AALDH1A1POLBMAPK1
SCHEMBL3593375 0.83 MEN1 (0.57) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3610837 0.78 ABL1 (0.56) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL3609158 0.78 MEN1 (0.52) MEN1KMT2ANPC1RAB9ASMN1; SMN2
Bromide SCHEMBL11244045 0.77 ABL1 (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3599077 0.76 SIRT5 (0.58) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3605683 0.75 HDAC3 (0.61) MEN1KMT2ANPC1SMN1; SMN2MAPT
Bromide SCHEMBL11245381 0.75 SIRT5 (0.57) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3593035 0.73 CSNK2A1 (0.67) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL3613551 0.73 RAB9A (0.70) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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
EP-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 EP claimed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 WO 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

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 MEN1 3257/4885KMT2A 4116/4885NPC1 267/4885

“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.