SCHEMBL23914653

SCHEMBL23914653

N#Cc1cc2[nH]c(CO)nc2cc1OCC(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.41
S1PR2 O95136 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
XDH P47989 5/20 0.34
AR P10275 1/20 0.33
CTSS P25774 1/20 0.33
S1PR1 P21453 1/20 0.32
NTRK1 P04629 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
SCHEMBL23966785 0.75 S1PR2 (0.51) S1PR2AR
SCHEMBL23909089 0.73 S1PR2 (0.78) S1PR2
SCHEMBL23915343 0.73 S1PR2 (0.58) S1PR2S1PR1ACACB
SCHEMBL23908833 0.72 S1PR2 (0.44) S1PR2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23909016 0.67 MBOAT4 (0.36) KDM4EALDH1A1XDHS1PR1
SCHEMBL22198971 0.66 IDH1 (0.40) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL23915308 0.66 MBOAT4 (0.33) XDHS1PR1ACACB
SCHEMBL23914852 0.65 XDH (0.43) S1PR2MAPTSMN1; SMN2XDH
SCHEMBL22185209 0.65 IDH1 (0.46)
SCHEMBL23862066 0.65 MAOB (0.41) XDHS1PR1

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 RHEB 2911/4885S1PR2 3/4885TDP1 3466/4885

“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.