SCHEMBL23909016

SCHEMBL23909016

N#Cc1cc(N)c(N)cc1OCC(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.36
AAK1 Q2M2I8 4/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
XDH P47989 3/20 0.34
S1PR1 P21453 1/20 0.33
CYP3A4 P08684 2/20 0.33

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
SCHEMBL23909063 0.81 VCAM1 (0.38) ALDH1A1XDHCYP3A4
SCHEMBL23915568 0.79 AAK1 (0.43) MBOAT4AAK1XDHS1PR1CYP3A4
SCHEMBL18122085 0.77 AR (0.43) MBOAT4AAK1ALDH1A1XDHS1PR1
SCHEMBL23862066 0.77 MAOB (0.41) AAK1XDHS1PR1
SCHEMBL22073608 0.77 KDM4E (0.38) MBOAT4KDM4EUSP2ALDH1A1
SCHEMBL23915464 0.77 ALDH1A1 (0.44) KDM4EUSP2ALDH1A1XDHCYP3A4
SCHEMBL23966539 0.76 ALDH1A1 (0.55) MBOAT4AAK1KDM4EUSP2ALDH1A1
SCHEMBL28615840 0.75 NTRK1 (0.44) XDHS1PR1
SCHEMBL18119751 0.74 ACHE (0.40) XDHS1PR1
SCHEMBL23915311 0.74 BACE1 (0.36) KDM4EUSP2ALDH1A1

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
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
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
CN-110869359-A Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis 加拉帕戈斯股份有限公司 2020-03-06 CN 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 4582/4885AAK1 1555/4885KDM4E 3835/4885

“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.