SCHEMBL9849136

SCHEMBL9849136

COC(=O)NC(Cc1ccc(Br)cc1)C(=O)OC

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.65
HDAC6 Q9UBN7 6/20 0.65
ATM Q13315 2/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
ALDH1A1 P00352 1/20 0.49
THRB P10828 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL9849139 1.00 HDAC1 (0.65) HDAC1HDAC6ATMCTSSCTSK
SCHEMBL31362607 0.90 HDAC1 (0.61) HDAC1HDAC6ATMCTSSCTSK
SCHEMBL14270781 0.88 HDAC1 (0.60) HDAC1HDAC6ATMCTSSCTSK
SCHEMBL5887330 0.88 HDAC1 (0.65) HDAC1HDAC6ATMALDH1A1THRB
SCHEMBL9849273 0.88 FPR2 (0.56) HDAC1HDAC6CTSSCTSKKMT2A
SCHEMBL502911 0.88 HDAC1 (0.65) HDAC1HDAC6ATMALDH1A1THRB
SCHEMBL9849270 0.88 FPR2 (0.56) HDAC1HDAC6CTSSCTSKKMT2A
SCHEMBL539217 0.87 CTSS (0.67) HDAC1HDAC6CTSSCTSKALDH1A1
SCHEMBL539218 0.87 CTSS (0.67) HDAC1HDAC6CTSSCTSKALDH1A1
SCHEMBL2706238 0.87 CTSS (0.67) HDAC1HDAC6CTSSCTSKALDH1A1

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 HDAC1 98/4885HDAC6 1241/4885ATM 1453/4885
US-10421743-B2 Tetrahydroisoquinolines as PRMT5 inhibitors PRMT5, PRMT1, PRMT3 HDAC1 98/4885HDAC6 1241/4885ATM 1453/4885

“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.