SCHEMBL10625970

SCHEMBL10625970

Cc1c(Cl)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 7/20 0.61
▸ TOP2B Q02880 7/20 0.61
▸ ALDH1A1 P00352 5/20 0.60
▸ POLB P06746 2/20 0.60
▸ OPRM1 P35372 2/20 0.60
▸ CHRM2 P08172 1/20 0.60
▸ CHRM1 P11229 1/20 0.60
▸ OPRD1 P41143 1/20 0.60
▸ KCNH2 Q12809 5/20 0.60
▸ KDM4E B2RXH2 4/20 0.53
▸ HPGD P15428 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ PRKD3 O94806 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ CLK2 P49760 1/20 0.51
▸ CLK4 Q9HAZ1 1/20 0.51

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
SCHEMBL10330766 0.91 ALDH1A1 (0.63) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL3136282 0.90 TOP2A (0.66) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL9149649 0.88 TOP2A (0.67) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL3984286 0.87 TOP2A (0.62) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL2184237 0.87 TOP2A (0.62) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL25669903 0.87 ALDH1A1 (0.64) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL29962586 0.85 ALDH1A1 (0.66) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL500386 0.85 ALDH1A1 (0.66) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL10330765 0.85 TOP2A (0.69) TOP2ATOP2BALDH1A1POLBOPRM1
SCHEMBL10925284 0.85 KCNH2 (0.46) TOP2ATOP2BALDH1A1POLBOPRM1

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
US-4762844-A ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1988-08-09 — — US claimed
EP-0181588-A2 Alkyl-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids, process for their preparation, and antibacterial agents containing them BAYER AG (DE) 1986-05-21 — — EP claimed
US-8252783-B2 Quinolone carboxylic acids, derivatives thereof, and methods of making and using same BAUSCH & LOMB INCORPORATED (US) 2012-08-28 — — US disclosed
US-20100029936-A1 Quinolone Carboxylic Acids, Derivatives Thereof, and Methods of Making and Using Same BAUSCH+LOMB OPS B.V. (NL) 2010-02-04 — — US disclosed
US-7632944-B2 Quinolone carboxylic acids, derivatives thereof, and methods of making and using same BAUSCH & LOMB INCORPORATED (US) 2009-12-15 — — US disclosed
US-20080176834-A1 Quinolone Carboxylic Acids, Derivatives Thereof, and Methods of Making and Using Same PRECISION DERMATOLOGY, INC. 2008-07-24 — — US disclosed
US-4762844-A ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1988-08-09 — — US disclosed
EP-0181588-A2 Alkyl-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids, process for their preparation, and antibacterial agents containing them BAYER AG (DE) 1986-05-21 — — 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 (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-20100029936-A1 Quinolone Carboxylic Acids, Derivatives Thereof, and Methods of Making and Using Same NQO2, QARS1, QPCT TOP2A 175/4885TOP2B 202/4885ALDH1A1 363/4885
US-20080176834-A1 Quinolone Carboxylic Acids, Derivatives Thereof, and Methods of Making and Using Same NQO2, QARS1, QPCT TOP2A 212/4885TOP2B 279/4885ALDH1A1 423/4885

“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.

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