SCHEMBL5735532

SCHEMBL5735532

Cc1nc(NC(=N)N)sc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 8/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
HTT P42858 2/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 3/20 0.47
TSHR P16473 2/20 0.47
NPC1 O15118 6/20 0.47
RXFP1 Q9HBX9 2/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 3/20 0.46
PDE5A O76074 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
KMT2A Q03164 2/20 0.42

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
SCHEMBL3604834 0.87 RXFP1 (0.62) PKMALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL12309834 0.84 RAB9A (0.57) PKMALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL3604731 0.81 ALDH1A1 (0.44) PKMALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL3585209 0.81 ALDH1A1 (0.64) PKMTDP1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL2208204 0.80 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2HTTHPGDTSHR
SCHEMBL7144220 0.80 MEN1 (0.40) PKMTDP1ALDH1A1SMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL7147143 0.79 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2HTTHPGDTSHR
SCHEMBL22750815 0.79 ALDH1A1 (0.53) PKMTDP1ALDH1A1SMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL7136708 0.78 ALDH1A1 (0.39) PKMTDP1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL8553256 0.78 LCK (0.59) PKMTDP1ALDH1A1SMN1; SMN2CYP1A2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111825633-B Method for synthesizing 2-guanidyl thiazole compounds by one-pot method 西华大学 2023-11-17 CN disclosed
EP-0986551-B1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2006-08-02 EP disclosed
EP-1123283-B1 THIAZOLE-DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-05-06 EP disclosed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
EP-0928793-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2002-05-15 EP disclosed
US-6359134-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-19 US 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-6297266-B1 INHIBIT THE BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES OF CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMANN-LA ROCHE INC. 2001-10-02 US disclosed
EP-1123283-A1 THIAZOLE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-16 EP disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
WO-2000024724-A1 THIAZOLE-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-05-04 WO disclosed
EP-0986551-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Pharmaceutical Company Limited (JP) 2000-03-22 EP disclosed
JP-2000053678-A THIAZOLE DERIVATIVE F HOFFMANN LA ROCHE AG 2000-02-22 JP disclosed
US-6001855-A REACTING A THIAZOLE DERIVATIVE AND A CYCLIC AMINE DERIVATIVE; INHIBITS BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES OF CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS HOFFMAN-LA ROCHE INC. (US) 1999-12-14 US disclosed
EP-0928793-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP disclosed
WO-1998054164-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-03 WO 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 PKM 573/4885TDP1 2800/4885ALDH1A1 1400/4885

“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.