SCHEMBL3980607

SCHEMBL3980607

COc1c(Br)ccc(N)c1C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
USP2 O75604 2/20 0.45
ALOX15 P16050 1/20 0.45
TDP1 Q9NUW8 3/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
PRKCZ Q05513 2/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 5/20 0.43
LMNA P02545 3/20 0.42
NPC1 O15118 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE7A Q13946 1/20 0.42
PDE3A Q14432 1/20 0.42
PDE7B Q9NP56 1/20 0.42

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
SCHEMBL17652833 0.86 PRKCZ (0.49) KMT2AMEN1TDP1SLC6A2SLC6A3
SCHEMBL3981567 0.84 RAB9A (0.49) KMT2AMAPTTDP1SLC6A2SLC6A3
SCHEMBL3984352 0.81 TDP1 (0.47) KMT2AMAPTTDP1SLC6A2SLC6A3
SCHEMBL3987873 0.78 MAPT (0.45) KMT2AMAPTMEN1USP2ALOX15
SCHEMBL3987667 0.76 SYK (0.42) KMT2AMAPTTDP1SLC6A2SLC6A3
SCHEMBL20620358 0.75 RAB9A (0.53) KMT2AMAPTTDP1SLC6A2SLC6A3
SCHEMBL31636376 0.74 TDP1 (0.59) KMT2AMAPTTDP1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL2008786 0.73 ALDH1A1 (0.55) KMT2AMEN1TDP1SLC6A2SLC6A3
SCHEMBL29212160 0.72 ALDH1A1 (0.67) KMT2AMAPTTDP1SLC6A2SLC6A3
SCHEMBL30831897 0.72 ALDH1A1 (0.67) KMT2AMAPTTDP1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491718-B2 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES (US) 2009-02-17 US disclosed
EP-1549613-A1 SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY Abbott Laboratories (US) 2005-07-06 EP disclosed
US-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity ABBVIE INC. 2004-08-26 US disclosed
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES 2004-08-12 US disclosed
WO-2004033419-A1 SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY ABBOTT LABORATORIES (US) 2004-04-22 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-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP KMT2A 647/4885MAPT 3230/4885MEN1 580/4885
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP KMT2A 647/4885MAPT 3230/4885MEN1 580/4885

“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.