SCHEMBL9504878

SCHEMBL9504878

O=C(Cl)c1c(F)cc(F)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.48
CA2 P00918 7/20 0.48
CA4 P22748 2/20 0.48
CES2 O00748 8/20 0.41
CES1 P23141 8/20 0.41
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA9 Q16790 4/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL1019991 0.85 CA1 (0.58) CA1CA2CA4CES2CES1
SCHEMBL17322555 0.82 CA1 (0.45) CA1CA2CA4CES2CES1
SCHEMBL8072641 0.82 ALDH1A1 (0.43) CA1CA2CA4CES2CES1
SCHEMBL30417635 0.80 CA1 (0.43) CA1CA2CA4CES2CES1
SCHEMBL17372335 0.80 POLB (0.38) CA1CA2CA4CES2CES1
SCHEMBL5506097 0.80 CA1 (0.43) CA1CA2CA4CES2CES1
SCHEMBL364018 0.78 CA1 (0.50) CA1CA2CA4CES2CES1
SCHEMBL9693376 0.78 CA1 (0.50) CA1CA2CA4CES2CES1
SCHEMBL8927424 0.77 CA1 (0.36) CA1CA2CA4CES2CES1
SCHEMBL8926676 0.77 CA1 (0.36) CA1CA2CA4CES2CES1

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-20230058189-A1 QUINOLIN-4-ONE AND 4(1H)-CINNOLINONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. (US) 2023-02-23 US disclosed
CN-109293478-B Method for preparing tetrafluorobenzyl alcohol 大连奇凯医药科技有限公司 2021-08-06 CN disclosed
US-9422231-B2 Method for inhibiting Trypanosoma cruzi HOWARD UNIVERSITY (US) 2016-08-23 US disclosed
US-20150073177-A1 METHOD FOR INHIBITING TRYPANOSOMA CRUZI HOWARD UNIVERRSITY (US) 2015-03-12 US disclosed
US-20140336187-A1 METHODS FOR TREATING LEISHMANIASIS HOWARD UNIVERSITY 2014-11-13 US disclosed
WO-2013074930-A1 METHODS FOR TREATING LEISHMANIASIS HOWARD UNIVERSITY (US) 2013-05-23 WO disclosed
WO-2013016661-A1 METHOD FOR INHIBITING TRYPANSOMA CRUZI HOWARD UNIVERSITY (US) 2013-01-31 WO disclosed
EP-0312085-B1 NOVEL QUINOLINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND ANTIBACTERIAL AGENT CONTAINING THEM Dainippon Pharmaceutical Co., Ltd. (JP) 1993-05-12 EP disclosed
US-5164392-A Active against streptococci and staphylococci DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1992-11-17 US disclosed
US-5013841-A Oxo quinoline derivatives DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1991-05-07 US disclosed
EP-0312085-A2 Novel quinoline derivatives, processes for preparation thereof and antibacterial agent containing them Dainippon Pharmaceutical Co., Ltd. (JP) 1989-04-19 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 (3 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-20140336187-A1 METHODS FOR TREATING LEISHMANIASIS LSS, CYP51A1, NQO1 CA1 4836/4885CA2 3627/4885CA4 3599/4885
US-20150073177-A1 METHOD FOR INHIBITING TRYPANOSOMA CRUZI PCNA, NQO1, NQO2 CA1 4673/4885CA2 3795/4885CA4 4106/4885
US-20230058189-A1 QUINOLIN-4-ONE AND 4(1H)-CINNOLINONE COMPOUNDS AND METHODS OF USING SAME DCX, NES, MCL1 CA1 1987/4885CA2 4078/4885CA4 2772/4885

“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.