SCHEMBL6312199

SCHEMBL6312199

O=C(O)C(=O)Nc1nn(Cc2ccccc2)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 1/20 0.46
PARP1 P09874 1/20 0.44
ADORA3 P0DMS8 4/20 0.43
ADORA2B P29275 2/20 0.43
ADORA1 P30542 2/20 0.43
KLKB1 P03952 2/20 0.43
ADORA2A P29274 2/20 0.43
CACNA1G O43497 2/20 0.43
CACNA1I Q9P0X4 2/20 0.43
KLK1 P06870 1/20 0.43
GAA P10253 1/20 0.40
CREBBP Q92793 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
PTPN1 P18031 1/20 0.39
SCD O00767 1/20 0.39
CACNA1H O95180 1/20 0.39
NPC1 O15118 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
SCHEMBL8698699 0.84 ADORA3 (0.58) ALDH1A1L3MBTL1KMT2APARP1ADORA3
SCHEMBL8695495 0.80 L3MBTL1 (0.45) ALDH1A1L3MBTL1KMT2APARP1ADORA3
SCHEMBL28764370 0.80 ALDH1A1 (0.49) ALDH1A1L3MBTL1KMT2APARP1ADORA3
SCHEMBL8696177 0.78 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2AADORA3ADORA2B
SCHEMBL8696733 0.78 KMT2A (0.46) ALDH1A1L3MBTL1KMT2APARP1ADORA3
SCHEMBL8693738 0.77 HPGD (0.52) ALDH1A1KMT2ANPC1RAB9AKDM4E
SCHEMBL8696100 0.76 EPHX1 (0.52) ALDH1A1L3MBTL1KMT2ACREBBPPTPN1
SCHEMBL8692678 0.76 HTT (0.46) ALDH1A1L3MBTL1KMT2AKLKB1KLK1
SCHEMBL8696364 0.75 ALDH1A1 (0.49) ALDH1A1KMT2AGAANPC1RAB9A
SCHEMBL6426562 0.75 ALDH1A1 (0.56) ALDH1A1L3MBTL1KMT2APARP1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2002-11-07 US claimed
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-03 US claimed
EP-1062204-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP claimed
WO-1999046244-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO claimed
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2005-06-02 US disclosed
US-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2002-11-07 US disclosed
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-03 US disclosed
EP-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP disclosed
EP-1062204-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP disclosed
WO-1999046244-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 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 (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-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPRO ALDH1A1 3669/4885L3MBTL1 3149/4885KMT2A 3317/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA ALDH1A1 3737/4885L3MBTL1 3144/4885KMT2A 3329/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 ALDH1A1 2235/4885L3MBTL1 3375/4885KMT2A 3051/4885

“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.