SCHEMBL3598571

SCHEMBL3598571

Cc1nc(NC(=N)N)sc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
MCL1 Q07820 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
CCNT1 O60563 2/20 0.45
CDK1 P06493 2/20 0.45
CCNB1 P14635 2/20 0.45
CDK9 P50750 2/20 0.45
XIAP P98170 1/20 0.45
CDK4 P11802 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CDK7 P50613 1/20 0.45
CCNH P51946 1/20 0.45
CCNA1 P78396 1/20 0.45

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
SCHEMBL7142259 0.89 MEN1 (0.52) MEN1KMT2AMAPTLMNAPOLB
Iodide SCHEMBL7146780 0.87 MEN1 (0.48) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL48503 0.86 MEN1 (0.65) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL3602972 0.86 PIK3CD (0.50) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL3601933 0.86 MAOA (0.44) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL3605366 0.84 MEN1 (0.48) MEN1KMT2AMAPTSMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL7143736 0.84 SLC6A4 (0.44) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL3605548 0.84 MAOA (0.45) MEN1KMT2AMAPTLMNAPOLB
Hydrochloric Acid SCHEMBL7147755 0.84 CSNK2A1 (0.45) MEN1KMT2AMAPTLMNAPOLB
Bromide SCHEMBL11255859 0.83 MEN1 (0.48) MEN1KMT2AMAPTSMN1; SMN2RAB9A

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 17 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
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-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
CN-1080720-C Thiazole derivatives HOFFMANN LA ROCHE (CH) 2002-03-13 CN disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
CN-1224718-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 1999-08-04 CN disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 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 (2 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 MEN1 681/4885KMT2A 4510/4885MAPT 86/4885
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 MEN1 3257/4885KMT2A 4116/4885MAPT 2/4885

“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.