SCHEMBL13290705

SCHEMBL13290705

COS(=O)(=O)c1ccc(C)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
BRD1 O95696 2/20 0.40
BRPF1 P55201 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
PTGS2 P35354 6/20 0.39
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGS1 P23219 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
ALDH3A1 P30838 1/20 0.38
TRIM24 O15164 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 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
SCHEMBL28356199 0.84 KMT2A (0.44) KMT2ACA12CA1CA2CA9
SCHEMBL8341152 0.82 LMNA (0.57) KMT2ACA12CA1CA2CA9
SCHEMBL28211544 0.80 KMT2A (0.38) KMT2ABRD1BRPF1CA12CA1
SCHEMBL4127590 0.80 KMT2A (0.38) KMT2ABRD1BRPF1CA12CA1
SCHEMBL4126980 0.79 POLB (0.48) BRD1BRPF1CA12CA1CA2
SCHEMBL15352594 0.79 IDO1 (0.40) CA12CA1CA2CA9PTGS2
SCHEMBL15352648 0.79 PTGS2 (0.42) KMT2ACA12CA1CA2CA9
SCHEMBL3757908 0.78 PTGS2 (0.54) BRD1BRPF1PTGS2ALDH3A1
SCHEMBL13290725 0.77 FLT1 (0.43) CA12CA1CA2CA9PTGS2
SCHEMBL2011324 0.76 CA2 (0.62) CA12CA1CA2CA9PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 KMT2A 320/4885BRD1 414/4885BRPF1 3251/4885

“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.