SCHEMBL3606993

SCHEMBL3606993

CCOC(=O)c1cccc(NC(=O)c2sc(NC(=N)N)nc2C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
POLB P06746 2/20 0.54
MAPT P10636 6/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 5/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPK1 P28482 2/20 0.53
HSD17B10 Q99714 1/20 0.53
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
PKM P14618 3/20 0.52
HTT P42858 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
TP53 P04637 2/20 0.52
CLK1 P49759 1/20 0.52
KIFC1 Q9BW19 1/20 0.52

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
SCHEMBL3610173 0.86 ALDH1A1 (0.60) KMT2AMEN1POLBMAPTRAB9A
SCHEMBL7143661 0.85 ALDH1A1 (0.65) KMT2AMEN1POLBMAPTRAB9A
SCHEMBL7140503 0.82 ALDH1A1 (0.49) KMT2AMEN1POLBMAPTRAB9A
SCHEMBL8687140 0.81 KMT2A (0.65) KMT2AMEN1POLBMAPTRAB9A
SCHEMBL6881528 0.79 MEN1 (0.62) KMT2AMEN1POLBMAPTRAB9A
SCHEMBL7145262 0.79 KIFC1 (0.49) KMT2AMEN1POLBMAPTRAB9A
SCHEMBL2208204 0.79 ALDH1A1 (0.72) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL4914875 0.79 MAPT (0.69) KMT2AMEN1POLBMAPTRAB9A
SCHEMBL7146957 0.78 ITGB3 (0.55) KMT2AMEN1POLBMAPTRAB9A
Hydrochloric Acid SCHEMBL7147143 0.78 ALDH1A1 (0.70) KMT2AMEN1MAPTRAB9ANPC1

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 15 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
US-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2010-02-04 US claimed
US-7601722-B2 Aryl sulfamide derivatives and methods of their use WYETH (US) 2009-10-13 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
US-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2010-02-04 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 (3 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-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 KMT2A 1521/4885MEN1 3968/4885POLB 3072/4885
US-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 KMT2A 4510/4885MEN1 681/4885POLB 4007/4885
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 KMT2A 4116/4885MEN1 3257/4885POLB 1963/4885

“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.