SCHEMBL20201852

SCHEMBL20201852

O=C1C2Cc3c(n(Cc4ccc(F)cc4)c4cc(Cl)ccc34)CN2C(=O)N1CCN1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.60
▸ HDAC6 Q9UBN7 11/20 0.47
▸ SIGMAR1 Q99720 1/20 0.46
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ TMEM97 Q5BJF2 2/20 0.37

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
SCHEMBL18268984 0.93 ENPP2 (0.57) ENPP2HDAC6SIGMAR1HDAC4HDAC1
SCHEMBL20201851 0.88 ENPP2 (0.58) ENPP2HDAC6HDAC4HDAC1HDAC2
SCHEMBL16750334 0.85 ENPP2 (0.72) ENPP2HDAC6HDAC4HDAC1HDAC2
SCHEMBL18268983 0.84 ENPP2 (0.57) ENPP2HDAC6HDAC4HDAC1HDAC2
SCHEMBL18070808 0.82 ENPP2 (0.61) ENPP2HDAC6HDAC4HDAC1HDAC2
SCHEMBL18269181 0.81 ENPP2 (0.72) ENPP2HDAC6SIGMAR1HDAC4HDAC1
SCHEMBL20201854 0.81 ENPP2 (0.57) ENPP2HDAC6SIGMAR1
SCHEMBL16750321 0.77 ENPP2 (0.47) ENPP2HDAC6HDAC4HDAC1HDAC2
SCHEMBL16750211 0.77 ENPP2 (0.82) ENPP2HDAC6HDAC4HDAC1HDAC2
SCHEMBL20201856 0.76 ENPP2 (0.68) ENPP2HDAC6HDAC4HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180147185-A1 AUTOTAXIN INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-05-31 — — 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-20180147185-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, RNASE1 ENPP2 1/4885HDAC6 448/4885SIGMAR1 4839/4885

“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.

Send feedback