SCHEMBL5074604

SCHEMBL5074604

FC(F)(F)c1nnc([S])s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ATM Q13315 1/20 0.36
HTT P42858 6/20 0.34
LMNA P02545 4/20 0.34
POLB P06746 1/20 0.34
MPI P34949 1/20 0.34
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
S1PR2 O95136 1/20 0.31
GAA P10253 1/20 0.31
XBP1 P17861 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
SCHEMBL31339479 0.80 ALDH1A1 (0.65) ALDH1A1CA1CA2CA4CA5A
SCHEMBL11768377 0.74 CA1 (0.39) ALDH1A1CA1CA2CA4CA5A
SCHEMBL299775 0.70 ALDH1A1 (0.54) ALDH1A1CA1CA2CA4CA5A
SCHEMBL8478879 0.69
SCHEMBL5077071 0.68 ALDH1A1 (0.52) ALDH1A1CA1CA2CA4CA5A
SCHEMBL5077077 0.68 ALDH1A1 (0.52) ALDH1A1CA1CA2CA4CA5A
SCHEMBL7829285 0.68 ALDH1A1 (0.52) ALDH1A1CA1CA2CA4CA5A
SCHEMBL701494 0.68 ALDH1A1 (0.52) ALDH1A1CA1CA2CA4CA5A
SCHEMBL2879537 0.68 ALDH1A1 (0.52) ALDH1A1CA1CA2CA4CA5A
SCHEMBL12340927 0.68 ALDH1A1 (0.52) ALDH1A1CA1CA2CA4CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4172197-A BACTERICIDES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1979-10-23 US claimed
US-4147693-A βLactam antibiotics and process for their use BAYER AKTIENGESELLSCHAFT (DE) 1979-04-03 US claimed
US-7435844-B2 Analogous compounds of strobilurines and their use as acaricides and insecticides ISAGRO RICERCA S.R.L. (IT) 2008-10-14 US disclosed
US-20060235075-A1 Analogous compounds of strobilurines and their use as acaricides and insecticides ISAGRO RICERCA S.R.L. (IT) 2006-10-19 US disclosed
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed
US-4223037-A ANIMAL GROWTH PROMOTER, BACTERICIDES, PENICILLINS BAYER AKTIENGESELLSCHAFT (DE) 1980-09-16 US disclosed
US-4086341-A NITRO SUBSTITUTED; ANTIBIOTIC BAYER AKTIENGESELLSCHAFT (DT) 1978-04-25 US disclosed
US-4029806-A Nitro-β-lactam antibiotics and processes for their preparation and use BAYER AKTIENGESELLSCHAFT (DT) 1977-06-14 US disclosed
US-4012518-A PENICILLIN DERIVATIVES AS GROWTH AND FEED UTILIZATION PROMOTERS IN ANIMALS BAYER AKTIENGESELLSCHAFT (DT) 1977-03-15 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-20060235075-A1 Analogous compounds of strobilurines and their use as acaricides and insecticides DDT, RYR1, TPMT ALDH1A1 13/4885CA1 254/4885CA2 476/4885

“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.