SCHEMBL4466378

SCHEMBL4466378

CCOC(=O)c1cn(C2CC2)c2c(Cl)c(F)ccc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.53
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 1/20 0.41
TOP2A P11388 5/20 0.40
TOP2B Q02880 5/20 0.40
STAT3 P40763 2/20 0.40
P2RX3 P56373 1/20 0.39

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
SCHEMBL6783818 0.89 ADRB2 (0.59) ADRB2TDP1ALDH1A1HTTKMT2A
SCHEMBL9148042 0.89 ADRB2 (0.55) ADRB2TDP1ALDH1A1HTTKMT2A
SCHEMBL115123 0.88 ADRB2 (0.54) ADRB2TDP1ALDH1A1HTTKMT2A
SCHEMBL9149546 0.87 TDP1 (0.43) ADRB2TDP1ALDH1A1HTTKMT2A
SCHEMBL9148480 0.87 TDP1 (0.43) ADRB2TDP1ALDH1A1HTTKMT2A
SCHEMBL9148485 0.87 TDP1 (0.43) ADRB2TDP1ALDH1A1HTTKMT2A
SCHEMBL7504273 0.87 ADRB2 (0.47) ADRB2TDP1ALDH1A1POLBCHRM2
SCHEMBL116273 0.86 ADRB2 (0.52) ADRB2TDP1ALDH1A1POLBOPRM1
SCHEMBL7575069 0.86 ADRB2 (0.61) ADRB2ALDH1A1POLBCHRM2CHRM1
SCHEMBL8927420 0.85 ADRB2 (0.51) ADRB2TDP1ALDH1A1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482454-B2 Antimicrobial quinolones, their compositions, and uses THE PROCTER & GAMBLE COMPANY (US) 2009-01-27 US disclosed
US-20060100436-A1 Antimicrobial quinolones, their compositions, and uses WARNER CHILCOTT COMPANY, LLC 2006-05-11 US disclosed
US-6329391-B1 ANTIBIOTICS, BACTERICIDES USING QUINOLONES THE PROCTER & GAMBLE CO. 2001-12-11 US disclosed
US-6114590-A Process for the preparation of polyhalogenated benzotrifluorides, benzotrichlorides and benzoyl chlorides and new trihalogenobenzotrichlorides and -benzoyl chlorides BAYER AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
EP-1015445-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2000-07-05 EP disclosed
US-6075165-A Process for the preparation of polyhalogenated benzotrifluorides, benzotrichlorides and benzoyl chlorides and new trihalogenobenzotrichlorides and -benzoyl chlorides BAYER AKTIENGESELLSCHAFT (DE) 2000-06-13 US disclosed
WO-1999014214-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 1999-03-25 WO disclosed
US-5599980-A Process for the preparation of polyhalogenated benzotrifluorides, benzotrichlorides and benzoyl chlorides and new trihalogenobenzotrichlorides and -benzoyl chlorides BAYER AKTIENGESELLSCHAFT (DE) 1997-02-04 US disclosed
US-5457104-A Antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1995-10-10 US 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-20060100436-A1 Antimicrobial quinolones, their compositions, and uses Q6ZSR9, RECQL, QARS1 ADRB2 2703/4885TDP1 3511/4885ALDH1A1 2880/4885

“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.