SCHEMBL3602639

SCHEMBL3602639

CCCCCc1nc(NC(=N)N)sc1-c1cccc(N)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.36
HDAC1 Q13547 6/20 0.36
HDAC2 Q92769 6/20 0.36
HDAC10 Q969S8 6/20 0.36
HDAC6 Q9UBN7 4/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC4 P56524 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
NCOR2 Q9Y618 1/20 0.36
DHFR P00374 1/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
SPHK2 Q9NRA0 9/20 0.34
SPHK1 Q9NYA1 7/20 0.34
GLS O94925 2/20 0.34

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
SCHEMBL3615259 0.97 HDAC3 (0.36) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL3606458 0.92 TRPM8 (0.36) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL3604664 0.88 TRPM8 (0.37) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL3601802 0.84 MAOA (0.47) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL3606351 0.83 PLTP (0.43) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL3608695 0.81 MAOA (0.46) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL3597588 0.79 PLTP (0.46) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL3596697 0.79 XIAP (0.47)
Hydrochloric Acid SCHEMBL7140582 0.78 XIAP (0.46)
SCHEMBL3600614 0.76 FNTA (0.39)

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
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
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
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
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 HDAC3 1672/4885HDAC1 2069/4885HDAC2 3045/4885
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 HDAC3 3023/4885HDAC1 1788/4885HDAC2 1703/4885

“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.