SCHEMBL3604731

SCHEMBL3604731

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
RXFP1 Q9HBX9 2/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
RAB9A P51151 4/20 0.42
HTT P42858 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.41
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL4525376 0.88 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL1062484 0.83 ALDH1A1 (0.61) ALDH1A1KMT2AMAPTMEN1RXFP1
Bromide SCHEMBL6113912 0.82 ALDH1A1 (0.60) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL3604834 0.81 RXFP1 (0.62) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL5735532 0.81 PKM (0.51) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL1593094 0.80 L3MBTL1 (0.54) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL12309834 0.79 RAB9A (0.57) ALDH1A1KMT2AMAPTMEN1RXFP1
Bromide SCHEMBL14052848 0.78 L3MBTL1 (0.52) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL2208204 0.78 ALDH1A1 (0.72) ALDH1A1KMT2AMAPTMEN1RXFP1
Hydrochloric Acid SCHEMBL7147143 0.77 ALDH1A1 (0.70) ALDH1A1KMT2AMAPTMEN1RXFP1

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 4 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 disclosed
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
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 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-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 ALDH1A1 1302/4885KMT2A 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.