SCHEMBL6978005

SCHEMBL6978005

O=S(=O)(Nc1cccc2cccnc12)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 8/20 1.00
SLC40A1 Q9NP59 9/20 0.76
TDP1 Q9NUW8 5/20 0.76
AGTR1 P30556 2/20 0.76
NFKBIA P25963 2/20 0.76
G6PD P11413 1/20 0.76
METAP2 P50579 1/20 0.76
METAP1 P53582 1/20 0.76
PAX8 Q06710 1/20 0.76
ATM Q13315 1/20 0.76
KMT2A Q03164 4/20 0.75
MEN1 O00255 3/20 0.75
MITF O75030 1/20 0.75
S1PR4 O95977 1/20 0.75
ALDH1A1 P00352 1/20 0.75
LMNA P02545 1/20 0.75
MAPT P10636 1/20 0.75
S1PR1 P21453 1/20 0.75
OPRK1 P41145 1/20 0.75
HTT P42858 1/20 0.75

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
SCHEMBL13765596 0.87 GLO1 (0.78) GLO1SLC40A1TDP1AGTR1NFKBIA
SCHEMBL442367 0.87 SLC40A1 (1.00) GLO1SLC40A1TDP1AGTR1NFKBIA
SCHEMBL30925415 0.87 GLO1 (0.76) GLO1SLC40A1TDP1AGTR1NFKBIA
SCHEMBL27214177 0.87 GLO1 (0.76) GLO1SLC40A1TDP1AGTR1NFKBIA
SCHEMBL15508515 0.86 GLO1 (0.76) GLO1SLC40A1TDP1AGTR1NFKBIA
SCHEMBL30925492 0.86 GLO1 (0.76) GLO1SLC40A1TDP1AGTR1NFKBIA
SCHEMBL9447001 0.86 GLO1 (0.75) GLO1SLC40A1TDP1AGTR1NFKBIA
SCHEMBL3825367 0.86 TDP1 (1.00) GLO1SLC40A1TDP1AGTR1NFKBIA
SCHEMBL13638616 0.86 SLC40A1 (0.76) GLO1SLC40A1TDP1AGTR1NFKBIA
SCHEMBL6981081 0.86 SLC40A1 (1.00) GLO1SLC40A1TDP1AGTR1NFKBIA

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
WO-2021146082-A1 BIHETEROCYCLIC INHIBITORS OF ISPF FOR TREATMENT OF MICROBIAL INFECTIONS POINT LOMA NAZARENE UNIVERSITY (US) 2021-07-22 WO disclosed
US-20140073668-A1 N-QUINOLIN-BENZENSULFONAMIDES AND RELATED COMPOUNDS FOR THE TREATMENT OF CANCER, AUTOIMMUNE DISORDERS AND INFLAMMATION THE TRUSTEES OF COLUMBIA UNVERSITY IN THE CITY OF NEW YORK (US) 2014-03-13 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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20140073668-A1 N-QUINOLIN-BENZENSULFONAMIDES AND RELATED COMPOUNDS FOR THE TREATMENT OF CANCER, AUTOIMMUNE DISORDERS AND INFLAMMATION NFKBIA, RELA, NFKB2 GLO1 4231/4885SLC40A1 1494/4885TDP1 3689/4885
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.