SCHEMBL3605683

SCHEMBL3605683

N=C(N)Nc1nc(-c2ccccc2[N+](=O)[O-])cs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
KDM1A O60341 1/20 0.52
LMNA P02545 3/20 0.48
TP53 P04637 1/20 0.48
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPK1 P28482 2/20 0.46

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
SCHEMBL10921363 0.86 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10806812 0.86 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10966433 0.85 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30294203 0.83 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1915932 0.80 KDM1A (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20703680 0.80 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3599077 0.79 SIRT5 (0.58) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL3610837 0.79 ABL1 (0.56) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL3609158 0.79 MEN1 (0.52) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL3612827 0.79 ATP4A (0.47) LMNAKMT2AMEN1MAPTSMN1; 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 12 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
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
EP-0089730-B1 GUANIDINO HETEROCYCLICPHENYLAMIDINES, PROCESSES FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ISTITUTO DE ANGELI S.p.A. (IT) 1987-05-27 EP disclosed
US-4645841-A ANTIULCER AGENTS ISTITUTO DE ANGELI, S.P.A. (IT) 1987-02-24 US disclosed
US-4548944-A ANTIULCER, ANTISECRETORY AGENTS ISTITUTO DE ANGELI S.P.A. (IT) 1985-10-22 US disclosed
EP-0089730-A2 Guanidino heterocyclicphenylamidines, processes for their preparation and their pharmaceutical use ISTITUTO DE ANGELI S.p.A. (IT) 1983-09-28 EP 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 HDAC3 3023/4885HDAC4 1672/4885HDAC1 1788/4885

“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.