SCHEMBL23915308

SCHEMBL23915308

N#Cc1cc2nc(CO)cn2cc1OCC(F)F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.33
SUV39H2 Q9H5I1 3/20 0.32
XDH P47989 1/20 0.32
S1PR1 P21453 2/20 0.32
RIPK1 Q13546 1/20 0.31
ACACB O00763 1/20 0.31
MCHR1 Q99705 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
SCHEMBL23914674 0.83 ACACB (0.34) MBOAT4XDHS1PR1ACACB
SCHEMBL23915298 0.81 S1PR2 (0.41) XDH
SCHEMBL23914671 0.80 S1PR1 (0.31) MBOAT4XDHS1PR1ACACB
SCHEMBL23914621 0.74 TSHR (0.41)
SCHEMBL31421769 0.72 XDH (0.51) XDH
SCHEMBL23909059 0.68 S1PR2 (0.42) XDH
SCHEMBL23914653 0.66 RHEB (0.41) XDHS1PR1ACACB
SCHEMBL18122085 0.65 AR (0.43) MBOAT4XDHS1PR1
SCHEMBL23909016 0.64 MBOAT4 (0.36) MBOAT4XDHS1PR1
SCHEMBL23915568 0.64 AAK1 (0.43) MBOAT4XDHS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 MBOAT4 4582/4885SUV39H2 3491/4885XDH 3672/4885

“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.