SCHEMBL3593035

SCHEMBL3593035

N=C(N)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.67
VCP P55072 1/20 0.67
KMT2A Q03164 9/20 0.66
MEN1 O00255 8/20 0.66
MAPT P10636 6/20 0.66
ALDH1A1 P00352 4/20 0.66
GAA P10253 1/20 0.66
RAB9A P51151 1/20 0.66
HTT P42858 3/20 0.65
MAOA P21397 3/20 0.64
MAOB P27338 3/20 0.64
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62

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
Bromide SCHEMBL7146574 0.99 KMT2A (0.68) CSNK2A1VCPKMT2AMEN1MAPT
SCHEMBL24340403 0.89 KMT2A (0.69) CSNK2A1VCPKMT2AMEN1MAPT
SCHEMBL8684018 0.88 CSNK2A1 (0.67) CSNK2A1VCPKMT2AMEN1MAPT
SCHEMBL10919656 0.87 KMT2A (0.67) CSNK2A1VCPKMT2AMEN1MAPT
SCHEMBL10922701 0.86 KMT2A (0.72) CSNK2A1VCPKMT2AMEN1MAPT
SCHEMBL10808167 0.86 BAZ1A (0.79) CSNK2A1VCPKMT2AMEN1MAPT
SCHEMBL10962764 0.85 KMT2A (0.74) CSNK2A1VCPKMT2AMEN1MAPT
SCHEMBL3613551 0.85 RAB9A (0.70) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL15689083 0.84 RAB9A (0.73) CSNK2A1VCPKMT2AMEN1MAPT
SCHEMBL30294205 0.84 CSNK2A1 (0.71) CSNK2A1VCPKMT2AMEN1MAPT

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 13 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
CN-101466692-A Thiazol-guanidine derivatives useful as a (beta) - related pathologies ASTRAZENECA AB (SE) 2009-06-24 CN 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
EP-4638427-A1 AMIDINOUREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER Université Côte d'Azur (FR) 2025-10-29 EP disclosed
WO-2024133857-A1 AMIDINOUREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER UNIVERSITE COTE D'AZUR (FR) 2024-06-27 WO disclosed
CN-111825633-B Method for synthesizing 2-guanidyl thiazole compounds by one-pot method 西华大学 2023-11-17 CN disclosed
US-11440906-B2 Biguanide derivatives and their rearrangement products for use in the treatment of cancer CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-09-13 US disclosed
EP-3728211-A1 BIGUANIDE DERIVATIVES AND THEIR REARRANGEMENT PRODUCTS FOR USE IN THE TREATMENT OF CANCER Centre National de la Recherche Scientifique (FR) 2020-10-28 EP disclosed
CN-111836803-A Compounds and their use in the treatment of cancer 国家科学研究中心 2020-10-27 CN disclosed
US-20200308156-A1 BIGUANIDE DERIVATIVES AND THEIR REARRANGEMENT PRODUCTS FOR USE IN THE TREATMENT OF CANCER INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2020-10-01 US disclosed
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US disclosed
CN-101466692-A Thiazol-guanidine derivatives useful as a (beta) - related pathologies ASTRAZENECA AB (SE) 2009-06-24 CN 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-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 CSNK2A1 1563/4885VCP 1390/4885KMT2A 4116/4885
US-20200308156-A1 BIGUANIDE DERIVATIVES AND THEIR REARRANGEMENT PRODUCTS FOR USE IN THE TREATMENT OF CANCER BCR, G6PD, BRAF CSNK2A1 1210/4885VCP 2644/4885KMT2A 3118/4885
US-11440906-B2 Biguanide derivatives and their rearrangement products for use in the treatment of cancer BCR, G6PD, BRAF CSNK2A1 1210/4885VCP 2644/4885KMT2A 3118/4885

“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.