SCHEMBL30058516

SCHEMBL30058516

CCCCOc1c(C(O)(O)C(F)(F)F)cnc2cc(Cl)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CCR1 P32246 1/20 0.34
POLB P06746 2/20 0.34
PRNP P04156 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
NR1H2 P55055 1/20 0.34
RORB Q92753 1/20 0.34
PDGFRB P09619 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL23534056 1.00 CYP3A4 (0.41) CYP3A4CYP1A2CYP2D6SRCSMN1; SMN2
SCHEMBL30025652 0.79 CYP3A4 (0.41) CYP3A4CYP1A2CYP2D6SRCSMN1; SMN2
SCHEMBL23534517 0.79 CYP3A4 (0.41) CYP3A4CYP1A2CYP2D6SRCSMN1; SMN2
SCHEMBL23535243 0.79 CYP3A4 (0.41) CYP3A4CYP1A2CYP2D6SRCSMN1; SMN2
SCHEMBL23535342 0.78 CCNE2 (0.44) CYP3A4CYP1A2CYP2D6ALDH1A1POLB
SCHEMBL15473225 0.66 ATM (0.40) CYP1A2SRCALDH1A1KMT2ATDP1
SCHEMBL18283385 0.65 NR4A2 (0.42) CYP3A4CYP1A2CYP2D6HSD17B10ALDH1A1
SCHEMBL12631853 0.64 LMNA (0.51) CYP1A2SMN1; SMN2HSD17B10ALDH1A1CCR1
SCHEMBL15110876 0.64 DHODH (0.41) CYP3A4POLBKMT2ATHRB
SCHEMBL20398622 0.64 CYP1A2 (0.42) CYP1A2SMN1; SMN2NPC1RAB9AHSD17B10

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-4076460-B1 1,4-DIHYDRO-2H-SPIRO[ISOQUINOLINE-3,4'-PIPERIDINE DERIVATIVES AS PRMT5 INHIBITORS FOR THE TREATMENT OF CANCER MERCK SHARP & DOHME LLC (US) 2026-01-21 EP disclosed
US-12441730-B2 PRMT5 inhibitors MERCK SHARP & DOHME LLC (US) 2025-10-14 US disclosed
US-20230114091-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-04-13 US disclosed
EP-4076460-A1 PRMT5 INHIBITORS Merck Sharp & Dohme LLC (US) 2022-10-26 EP 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-20230114091-A1 PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 CYP3A4 1300/4885CYP1A2 1963/4885CYP2D6 1074/4885
US-12441730-B2 PRMT5 inhibitors PRMT5, PRMT1, PRMT3 CYP3A4 1300/4885CYP1A2 1963/4885CYP2D6 1074/4885

“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.