SCHEMBL444893

SCHEMBL444893

CC(C)(C)[Si](C)(C)n1ccc2cc(Br)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ROCK1 Q13464 1/20 0.39
HTR7 P34969 2/20 0.36
FABP4 P15090 2/20 0.35
MCL1 Q07820 1/20 0.34
FABP3 P05413 1/20 0.34
FABP2 P12104 1/20 0.34
FABP5 Q01469 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NTSR1 P30989 1/20 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
SCHEMBL993855 0.80 KCNH2 (0.44) SLC6A2HTR2AHTR2CFABP4ALDH1A1
SCHEMBL4478439 0.76 CDC7 (0.43) ALDH1A1HTR6CDC7CDK2MAP3K14
SCHEMBL413823 0.75 HTR2A (0.50) SLC6A2HTR2AHTR2CROCK1HTR7
SCHEMBL30967900 0.75 HTR2A (0.50) SLC6A2HTR2AHTR2CROCK1HTR7
SCHEMBL984963 0.74 ENPP3 (0.38)
SCHEMBL6560789 0.72 MCL1 (0.36) SLC6A2HTR2AHTR2CROCK1MCL1
SCHEMBL4490724 0.71 TFPI2 (0.38) SLC6A2ALDH1A1MAPTTSHRRAB9A
SCHEMBL18191223 0.70 MAPT (0.41) MCL1NPC1ALDH1A1TP53MAPT
SCHEMBL4488558 0.70 HTR2C (0.42) SLC6A2HTR2AHTR2CROCK1HTR7
SCHEMBL4485147 0.70 CDC7 (0.39) HTR2AHTR2CROCK1HTR7NPC1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4673137-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME Sionna Therapeutics Inc. (US) 2026-01-07 EP disclosed
US-12286424-B2 Small molecule inhibitors of galectin-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-29 US disclosed
WO-2024182736-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME SIONNA THERAPEUTICS INC. (US) 2024-09-06 WO disclosed
US-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2023-07-06 US disclosed
US-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2023-07-06 US disclosed
EP-4149939-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 Bristol-Myers Squibb Company (US) 2023-03-22 EP disclosed
CN-115551850-A Small molecule inhibitors of galectin-3 百时美施贵宝公司 2022-12-30 CN disclosed
WO-2021231243-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-18 WO disclosed
US-9822092-B2 ArylSulfonamide-based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2017-11-21 US disclosed
US-9822092-B2 ArylSulfonamide-based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2017-11-21 US disclosed
US-7754721-B2 Arylpiperazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-07-13 US disclosed
US-7754721-B2 Arylpiperazine derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-07-13 US disclosed
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2009-12-24 US disclosed
EP-2061774-A2 ARYLPIPERAZINE DERIVATIVES AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2009-05-27 EP disclosed
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof ROCHE PALO ALTO LLC 2008-06-19 US disclosed
WO-2008019971-A2 ARYLPIPERAZINE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO disclosed
WO-2008019971-A2 ARYLPIPERAZINE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO disclosed
US-20080045543-A1 Arylpiperazine derivatives and uses thereof ROCHE PALO ALTO LLC 2008-02-21 US disclosed
US-20080045543-A1 Arylpiperazine derivatives and uses thereof ROCHE PALO ALTO LLC 2008-02-21 US disclosed
US-20080045543-A1 Arylpiperazine derivatives and uses thereof ROCHE PALO ALTO LLC 2008-02-21 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 (5 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-12286424-B2 Small molecule inhibitors of galectin-3 LGALS3, LGALS1, LGALS3BP SLC6A2 4394/4885HTR2A 4484/4885HTR2C 4288/4885
US-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP SLC6A2 4394/4885HTR2A 4484/4885HTR2C 4288/4885
US-20080146607-A1 Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof CNKSR1, RB1, AR SLC6A2 4870/4885HTR2A 1967/4885HTR2C 1137/4885
US-20090318493-A1 Aryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof TPH2, TPH1, ADRA2C SLC6A2 71/4885HTR2A 14/4885HTR2C 4/4885
US-20080045543-A1 Arylpiperazine derivatives and uses thereof CYP3A7, CYP3A5, HTR7 SLC6A2 1508/4885HTR2A 23/4885HTR2C 20/4885

“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.