SCHEMBL19972228

SCHEMBL19972228

COc1cc(F)c(C=C(C#N)C(=O)O)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC16A3 O15427 8/20 0.45
SLC16A1 P53985 8/20 0.45
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
EGFR P00533 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CISD1 Q9NZ45 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
GPR35 Q9HC97 1/20 0.41

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
SCHEMBL19972225 1.00 KDM4E (0.48) KDM4ELMNAPKMKMT2ASLC16A3
SCHEMBL14689882 0.82 EGFR (0.46) KDM4ESLC16A3SLC16A1EGFRCYP3A4
SCHEMBL2462518 0.82 EGFR (0.46) KDM4ESLC16A3SLC16A1EGFRCYP3A4
SCHEMBL19994122 0.82 ALDH1A1 (0.55) KDM4ELMNAPKMKMT2AALDH1A1
SCHEMBL28296981 0.82 ALDH1A1 (0.55) KDM4ELMNAPKMKMT2AALDH1A1
SCHEMBL19994120 0.82 ALDH1A1 (0.55) KDM4ELMNAPKMKMT2AALDH1A1
SCHEMBL23572563 0.80 KDM4E (0.54) KDM4ELMNAPKMKMT2ASLC16A3
SCHEMBL21637636 0.80 KDM4E (0.54) KDM4ELMNAPKMKMT2ASLC16A3
SCHEMBL8645847 0.80 KDM4E (0.54) KDM4ELMNAPKMKMT2ASLC16A3
SCHEMBL3912929 0.77 POLB (0.38) LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515902-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2019-07-31 EP disclosed
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl Grünenthal GmbH (DE) 2019-04-23 US disclosed
WO-2018054549-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-29 WO disclosed
US-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-22 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 (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-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL FPR2, FPR1, FPR3 KDM4E 4525/4885LMNA 2920/4885PKM 1963/4885
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl FPR2, FPR1, FPR3 KDM4E 4525/4885LMNA 2920/4885PKM 1963/4885

“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.