SCHEMBL5654886

SCHEMBL5654886

Brc1c(OCc2ccccc2)ccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.60
NPC1 O15118 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MAPT P10636 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
NCEH1 Q6PIU2 1/20 0.55
RXFP1 Q9HBX9 3/20 0.55
PRNP P04156 3/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
ADRB2 P07550 1/20 0.50

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
SCHEMBL30822036 1.00 RAB9A (0.60) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL8859833 0.81 NPC1 (0.62) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL1359254 0.79 MAOB (0.50) CYP1A2ALOX5
SCHEMBL27512292 0.79 NPC1 (0.60) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL19608995 0.79 NPC1 (0.60) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL4078645 0.79 NPC1 (0.60) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL29860529 0.79 NPC1 (0.60) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL2386082 0.79 NPC1 (0.60) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL26622001 0.79 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL7362748 0.79 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250326777-A1 COMPOUNDS, COMPOSITIONS AND METHODS THEREOF HEPAITECH BEIJING BIOPHARMA TECH CO LTD (CN) 2025-10-23 US disclosed
US-20220304958-A1 SMALL MOLECULE INHIBITORS OF A PROTEIN COMPLEX THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-09-29 US disclosed
WO-2020247608-A1 SMALL MOLECULE INHIBITORS OF A PROTEIN COMPLEX THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-10 WO disclosed
CN-109843856-A KRAS G12C inhibitor 米拉蒂治疗股份有限公司 2019-06-04 CN disclosed
EP-3458445-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2019-03-27 EP disclosed
WO-2017201161-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2017-11-23 WO disclosed
US-7291739-B2 3, 4-disubstituted pyridine compounds; IMPERIAL INNOVATIONS LIMITED (GB) 2007-11-06 US disclosed
US-7291739-B2 3, 4-disubstituted pyridine compounds; IMPERIAL INNOVATIONS LIMITED (GB) 2007-11-06 US disclosed
US-20040127740-A1 Chiral catalysts for asymmetric acylation and related transformations SHEFFIELD UNIVERSITY OF WESTERN BANK 2004-07-01 US disclosed
US-6743922-B2 3-SUBSTITUENT HIGHLY RESISTANT TO ROTATION-4-TERTIARY AMINO-PYRIDINE UNIVERSITY OF SHEFFIELD (GB) 2004-06-01 US disclosed
EP-1233828-B1 CHIRAL CATALYSTS FOR ASYMMETRIC ACYLATION AND RELATED TRANSFORMATIONS UNIV SHEFFIELD (GB) 2004-05-06 EP disclosed
US-20030017942-A1 Chiral catalysts for asymmetric acylation and related transformations IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2003-01-23 US disclosed
EP-1233828-A2 CHIRAL CATALYSTS FOR ASYMMETRIC ACYLATION AND RELATED TRANSFORMATIONS THE UNIVERSITY OF SHEFFIELD (GB) 2002-08-28 EP disclosed
WO-2001039884-A2 CHIRAL CATALYSTS FOR ASYMMETRIC ACYLATION AND RELATED TRANSFORMATIONS UNIVERSITY OF SHEFFIELD (GB) 2001-06-07 WO disclosed
US-5872301-A Bifunctional precursors for the preparation of liquid crystals HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-16 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 (4 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-20030017942-A1 Chiral catalysts for asymmetric acylation and related transformations NR4A1, HAT1, NR2C2 RAB9A 3889/4885NPC1 1481/4885SMN1; SMN2 2352/4885
US-20040127740-A1 Chiral catalysts for asymmetric acylation and related transformations NR4A1, NR0B1, NR2C2 RAB9A 3977/4885NPC1 1555/4885SMN1; SMN2 2094/4885
US-20250326777-A1 COMPOUNDS, COMPOSITIONS AND METHODS THEREOF MRGPRX4, MRGPRX1, MRGPRX2 RAB9A 1008/4885NPC1 56/4885SMN1; SMN2 171/4885
US-20220304958-A1 SMALL MOLECULE INHIBITORS OF A PROTEIN COMPLEX SERBP1, PPHLN1, VCAM1 RAB9A 2777/4885NPC1 1712/4885SMN1; SMN2 4708/4885

“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.