SCHEMBL3604013

SCHEMBL3604013

Cc1nc(NC(=N)N)sc1-c1ccc(NC(=O)CCCCC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 2/20 0.46
ALOX12 P18054 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RAB9A P51151 5/20 0.45
NPC1 O15118 3/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
XIAP P98170 1/20 0.45
PIK3CD O00329 4/20 0.45
PIK3CA P42336 4/20 0.45
PIK3CB P42338 4/20 0.45
PIK3CG P48736 4/20 0.45
HPGD P15428 2/20 0.44
ITGB3 P05106 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
SCHEMBL3609305 0.94 MEN1 (0.46) ALDH1A1MEN1KMT2AMAPTALOX12
SCHEMBL3605420 0.90 MAPT (0.46) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL3602744 0.88 MEN1 (0.46) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL3603149 0.86 MEN1 (0.48) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7144719 0.81 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL3605756 0.81 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL3610431 0.80 FNTA (0.50) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL3610869 0.78 MAPT (0.47) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL3601760 0.78 MEN1 (0.63) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL13074374 0.76 PIK3CD (0.52) ALDH1A1MEN1KMT2AMAPTKDM4E

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-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US claimed
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US 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
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 ALDH1A1 1400/4885MEN1 681/4885KMT2A 4510/4885
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 ALDH1A1 1302/4885MEN1 3257/4885KMT2A 4116/4885

“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.