SCHEMBL3983979

SCHEMBL3983979

CC(=O)Nc1ccc(C(C)C)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
P2RX4 Q99571 3/20 0.51
P2RX7 Q99572 2/20 0.51
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
POLB P06746 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL9995042 0.88 CA1 (0.54) CA1CA2CA9P2RX4P2RX7
SCHEMBL22628682 0.84 NPC1 (0.47) CA1CA2CA9ALDH1A1RAB9A
SCHEMBL15160055 0.83 P2RX4 (0.49) CA1CA2CA9P2RX4P2RX7
SCHEMBL4826296 0.83 P2RX4 (0.49) P2RX4P2RX7ALDH1A1RAB9ANPC1
SCHEMBL17027092 0.82 P2RX4 (0.51) CA1CA2CA9P2RX4P2RX7
SCHEMBL13516845 0.82 P2RX4 (0.48) CA1CA2CA9P2RX4P2RX7
SCHEMBL6080352 0.82 P2RX4 (0.46) CA1CA2CA9P2RX4P2RX7
SCHEMBL5391295 0.81 ALDH1A1 (0.49) CA1CA2P2RX4P2RX7ALDH1A1
SCHEMBL17027052 0.81 P2RX4 (0.50) CA1CA2CA9P2RX4P2RX7
SCHEMBL6836151 0.81 MAPT (0.62) CA1CA2CA9ALDH1A1RAB9A

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-7491718-B2 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES (US) 2009-02-17 US disclosed
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 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
US-20040068012-A1 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES 2004-04-08 US disclosed
EP-0034292-B1 PROCESS FOR THE PREPARATION OF ANTHRANILIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-11-23 EP disclosed
US-4348396-A Substituted 11-oxo-11H-pyrido[2,1-b]quinazolines and method of inhibiting allergic reactions with them HOFFMANN-LA ROCHE INC. (US) 1982-09-07 US disclosed
EP-0034292-A2 Process for the preparation of anthranilic acid derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-08-26 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 (4 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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 CA1 4290/4885CA2 1835/4885CA9 3217/4885
US-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP CA1 1210/4885CA2 346/4885CA9 473/4885
US-20040068012-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP CA1 1210/4885CA2 346/4885CA9 473/4885
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP CA1 1210/4885CA2 346/4885CA9 473/4885

“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.