SCHEMBL6982956

SCHEMBL6982956

O=S(=O)(Cc1ccccc1)Nc1cccc2cccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 7/20 1.00
SLC40A1 Q9NP59 9/20 0.63
TDP1 Q9NUW8 5/20 0.63
NFKBIA P25963 2/20 0.63
G6PD P11413 1/20 0.63
AGTR1 P30556 1/20 0.63
METAP2 P50579 1/20 0.63
METAP1 P53582 1/20 0.63
PAX8 Q06710 1/20 0.63
ATM Q13315 1/20 0.63
ALOX15 P16050 1/20 0.60
HTT P42858 1/20 0.60
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
RELA Q04206 1/20 0.54

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
SCHEMBL30372036 1.00 GLO1 (1.00) GLO1SLC40A1TDP1NFKBIAG6PD
SCHEMBL3107794 0.80 SLC40A1 (0.69) GLO1SLC40A1TDP1NFKBIAAGTR1
SCHEMBL442367 0.78 SLC40A1 (1.00) GLO1SLC40A1TDP1NFKBIAG6PD
SCHEMBL28028822 0.77 GLO1 (0.62) GLO1MEN1KMT2A
SCHEMBL13485951 0.77 GLO1 (0.64) GLO1SLC40A1TDP1NFKBIAG6PD
SCHEMBL7746129 0.77 SLC40A1 (0.97) GLO1SLC40A1TDP1NFKBIAG6PD
SCHEMBL11972946 0.77 SLC40A1 (1.00) GLO1SLC40A1TDP1NFKBIAG6PD
SCHEMBL6860415 0.76 GLO1 (0.70) GLO1SLC40A1TDP1NFKBIAG6PD
SCHEMBL22764864 0.76 GLO1 (0.60) GLO1SLC40A1AGTR1PAX8ALOX15
SCHEMBL11469225 0.76 GLO1 (0.60) GLO1SLC40A1TDP1NFKBIAG6PD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 US disclosed
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 US disclosed
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
EP-0675358-B1 Monitoring water treatment agent in-system concentration and regulating dosage NALCO CHEMICAL CO (US) 2003-07-02 EP disclosed
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO disclosed
EP-0675358-A1 Monitoring water treatment agent in-system concentration and regulating dosage NALCO CHEMICAL COMPANY (US) 1995-10-04 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 (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-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS HELZ, MMEL1, GAA GLO1 2965/4885SLC40A1 408/4885TDP1 1854/4885

“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.