SCHEMBL9849305

SCHEMBL9849305

COC(=O)C1Cc2ccc(Br)cc2CN1C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.55
HDAC8 Q9BY41 7/20 0.41
HSD17B3 P37058 2/20 0.40
ABHD6 Q9BV23 2/20 0.40
ALDH1A1 P00352 1/20 0.39
MMP2 P08253 1/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL29780698 1.00 PTPN1 (0.55) PTPN1HDAC8HSD17B3ABHD6ALDH1A1
SCHEMBL19329075 1.00 PTPN1 (0.55) PTPN1HDAC8HSD17B3ABHD6ALDH1A1
SCHEMBL19748663 0.95 PTPN1 (0.49) PTPN1HDAC8HSD17B3ABHD6ALDH1A1
SCHEMBL32677092 0.95 PTPN1 (0.49) PTPN1HDAC8HSD17B3ABHD6ALDH1A1
SCHEMBL31362559 0.90 PTPN1 (0.51) PTPN1HDAC8ALDH1A1
SCHEMBL28947406 0.90 POLB (0.48) PTPN1HDAC8HSD17B3ABHD6POLB
SCHEMBL28808110 0.90 POLB (0.48) PTPN1HDAC8HSD17B3ABHD6POLB
SCHEMBL32676890 0.85 PTPN1 (0.46) PTPN1ALDH1A1POLBTDP1PDE4B
SCHEMBL32676795 0.85 PTPN1 (0.46) PTPN1ALDH1A1POLBTDP1PDE4B
SCHEMBL16879299 0.84 PTPN1 (0.57) PTPN1HDAC8PDE4BPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426648-B1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LTD (AU) 2021-05-12 EP disclosed
US-10421743-B2 Tetrahydroisoquinolines as PRMT5 inhibitors CTXT PTY LTD (AU) 2019-09-24 US disclosed
US-20190071425-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LTD (AU) 2019-03-07 US disclosed
EP-3426648-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS Ctxt Pty Ltd (AU) 2019-01-16 EP disclosed
WO-2017153513-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LIMITED (AU) 2017-09-14 WO disclosed
EP-0421436-A2 Substituted carboxytetrahydroisoquinolines and derivatives thereof having pharmaceutical activity WARNER-LAMBERT COMPANY (US) 1991-04-10 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-20190071425-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 PTPN1 4467/4885HDAC8 707/4885HSD17B3 3235/4885
US-10421743-B2 Tetrahydroisoquinolines as PRMT5 inhibitors PRMT5, PRMT1, PRMT3 PTPN1 4467/4885HDAC8 707/4885HSD17B3 3235/4885

“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.