SCHEMBL6367202

SCHEMBL6367202

Brc1ccc2c(c1)nnc1cc(Br)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.50
BACE1 P56817 2/20 0.43
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDPK1 O15530 2/20 0.40
JAK2 O60674 2/20 0.40
GPR3 P46089 1/20 0.39
ACHE P22303 1/20 0.39
ALK Q9UM73 1/20 0.39
MPO P05164 1/20 0.38
CYP2A6 P11509 1/20 0.37
METAP2 P50579 1/20 0.37
CHEK1 O14757 1/20 0.36
PIM1 P11309 1/20 0.36
AKT1 P31749 1/20 0.36
FLT3 P36888 1/20 0.36
PIM3 Q86V86 1/20 0.36
PLAU P00749 1/20 0.36
NQO2 P16083 1/20 0.35

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
SCHEMBL11518864 0.78 PABPC1 (0.50) PABPC1BACE1HTTCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL11516790 0.76 PABPC1 (0.48) PABPC1BACE1HTTCYP1A2CYP2C19
SCHEMBL17075876 0.74 NT5E (0.38) PABPC1BACE1HTTCYP1A2CYP2C19
SCHEMBL16294313 0.74 ALOX15 (0.39) PABPC1BACE1HTTCYP1A2CYP2C19
SCHEMBL24252437 0.74 PABPC1 (0.47) PABPC1BACE1HTTCYP1A2CYP2C19
SCHEMBL11516837 0.74 GPR3 (0.61) PABPC1HTTCYP1A2CYP2C19GPR3
SCHEMBL38660002 0.74 GPR3 (0.61) PABPC1HTTCYP1A2CYP2C19GPR3
SCHEMBL1580032 0.73 DHODH (0.40) PABPC1HTTCYP1A2CYP2C19PIM1
SCHEMBL31372203 0.73 DHODH (0.40) PABPC1HTTCYP1A2CYP2C19PIM1
SCHEMBL10987574 0.73 METAP2 (0.43) PABPC1PDPK1JAK2ALKMETAP2

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-6951880-B2 Aryl and heteroaryl compounds as antibacterial and antifungal agents GENELABS TECHNOLOGIES, INC. (US) 2005-10-04 US disclosed
EP-0831813-B1 METHODS OF INHIBITING PNEUMOCYSTIS CARINII PNEUMONIA AND COMPOUNDS USEFUL THEREFOR UNIV NORTH CAROLINA (US) 2005-01-19 EP disclosed
WO-2004047724-A2 ARYL AND HETEROARYL COMPOUNDS AS ANTIBACTERIAL AND ANTIFUNGAL AGENTS GENELABS TECHNOLOGIES, INC (US) 2004-06-10 WO disclosed
US-20030220340-A1 Aryl and heteroaryl compounds as antibacterial and antifungal agents GLAXOSMITHKLINE LLC 2003-11-27 US disclosed
EP-0831811-B1 CARBAZOLES FOR TREATING MICROBIAL INFECTIONS UNIV NORTH CAROLINA (US) 2003-11-19 EP disclosed
EP-0831811-A1 METHODS OF TREATING MICROBIAL INFECTIONS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-04-01 EP disclosed
EP-0831813-A1 METHODS OF INHIBITING PNEUMOCYSTIS CARINII PNEUMONIA AND COMPOUNDS USEFUL THEREFOR THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-04-01 EP disclosed
US-5668166-A CARBAZOLE COMPOUNDS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1997-09-16 US disclosed
US-5668167-A TREATMENT OF PNEUMOCYSTIS PNEUMONIA WITH CARBAZOLE DERIVATIVES DUKE UNIVERSITY (US) 1997-09-16 US disclosed
WO-1996040117-A1 METHODS OF TREATING MICROBIAL INFECTIONS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-12-19 WO disclosed
WO-1996040114-A1 METHODS OF INHIBITING PNEUMOCYSTIS CARINII PNEUMONIA AND COMPOUNDS USEFUL THEREFOR THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-12-19 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 (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-20030220340-A1 Aryl and heteroaryl compounds as antibacterial and antifungal agents AADAC, ERG28, LSS PABPC1 4323/4885BACE1 1939/4885HTT 1426/4885

“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.