SCHEMBL5796007

SCHEMBL5796007

CCCCCc1nc2cc(N3CCOC3=O)ccc2cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CMA1 P23946 9/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL5548338 0.72 ALDH1A1 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
Urea SCHEMBL6014301 0.69 GABRA1 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6014274 0.65 KMT2A (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1019042 0.63 ALDH1A1 (0.56) CMA1NAAATNKS
SCHEMBL12546194 0.63 CCNA2 (0.41) NAAA
SCHEMBL17202456 0.63 CMA1 (0.45) CMA1
SCHEMBL18505936 0.63 MMP12 (0.39) CMA1
SCHEMBL2181943 0.62 TNKS (0.47) CCNCCDK8NAAATNKS
SCHEMBL16703423 0.62 CMA1 (0.67) CMA1
SCHEMBL1962849 0.61 ALDH1A1 (0.60) CMA1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349853-B1 ANTIMICROBIAL QUINOLONE DERIVATIVES AND USE OF THE SAME TO TREAT BACTERIAL INFECTIONS PHARMACIA & UPJOHN CO LLC (US) 2006-03-08 EP disclosed
US-6869965-B2 Such as 2-methylpropyl-(4-bromo-3-fluorophenyl)carbamate PHARMACIA & UPJOHN COMPANY (US) 2005-03-22 US disclosed
US-20040215017-A1 Antimicrobial quinolone derivatives and use of the same to treat bacterial infections PHARMACIA & UPJOHN COMPANY 2004-10-28 US disclosed
US-6689769-B2 BACTERICIDES PHARMACIA & UPJOHN COMPANY 2004-02-10 US disclosed
EP-1349853-A2 ANTIMICROBIAL QUINOLONE DERIVATIVES AND USE OF THE SAME TO TREAT BACTERIAL INFECTIONS Pharmacia & Upjohn Company (US) 2003-10-08 EP disclosed
US-20030013737-A1 Antimicrobial quinolone derivatives and use of the same to treat bacterial infections PHARMACIA & UPJOHN COMPANY 2003-01-16 US disclosed
WO-2002059116-A3 ANTIMICROBIAL QUINOLONE DERIVATIVES AND USE OF THE SAME TO TREAT BACTERIAL INFECTIONS UPJOHN CO (US) 2002-12-05 WO disclosed
WO-2002059116-A2 ANTIMICROBIAL QUINOLONE DERIVATIVES AND USE OF THE SAME TO TREAT BACTERIAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2002-08-01 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-20030013737-A1 Antimicrobial quinolone derivatives and use of the same to treat bacterial infections BRD7, BRD1, NQO2 GABRP 590/4885GABRD 122/4885GABRA1 257/4885
US-20040215017-A1 Antimicrobial quinolone derivatives and use of the same to treat bacterial infections BRD7, BRD1, NQO2 GABRP 590/4885GABRD 122/4885GABRA1 257/4885

“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.