SCHEMBL4429332

SCHEMBL4429332

Cc1cc(Br)cc(C(F)(F)F)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
NT5E P21589 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
ATM Q13315 1/20 0.39
ADORA2A P29274 5/20 0.39
ADORA1 P30542 3/20 0.39
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CRHBP P24387 1/20 0.35
CYP2C19 P33261 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL30329198 1.00 HSP90AA1 (0.53) HSP90AA1HSP90AB1NT5EKDM4EHTT
SCHEMBL855006 0.84 NT5E (0.47) HSP90AA1HSP90AB1NT5EKDM4EHTT
SCHEMBL16192462 0.77 NT5E (0.43) HSP90AA1HSP90AB1NT5EKDM4EHTT
SCHEMBL14927264 0.77 HSP90AA1 (0.57) HSP90AA1HSP90AB1KDM4EHTTKMT2A
SCHEMBL24227856 0.77 GAA (0.32) HSP90AA1HSP90AB1HTTHSD17B10ALDH1A1
SCHEMBL29383870 0.77 GAA (0.32) HSP90AA1HSP90AB1HTTHSD17B10ALDH1A1
SCHEMBL10271822 0.76 HSP90AA1 (0.55) HSP90AA1HSP90AB1KDM4EHTTKMT2A
SCHEMBL21731003 0.76 HSP90AA1 (0.55) HSP90AA1HSP90AB1KDM4EHTTKMT2A
SCHEMBL16579591 0.76 HSP90AA1 (0.55) HSP90AA1HSP90AB1KDM4EHTTKMT2A
SCHEMBL249664 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025122809-A1 M4 POSITIVE ALLOSTERIC MODULATORS ACADIA PHARMACEUTICALS INC. (US) 2025-06-12 WO disclosed
US-20250034170-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2025-01-30 US disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed
WO-2019148005-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. (US) 2019-08-01 WO disclosed
CN-1867554-B Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors HOFFMANN LA ROCHE 2011-07-06 CN disclosed
US-7605163-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-20 US disclosed
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES JOLIDON SYNESE 2008-05-22 US disclosed
US-7319099-B2 Such as 1-{3-fluoro-4-[4-(2-isopropoxy-5-methanesulfonyl benzoyl)-piperazin-1-yl]-phenyl}-ethanone for treatment of psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia, attention deficit disorders, or Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
EP-1656361-B1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed
CN-1867554-A Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors HOFFMANN LA ROCHE (CH) 2006-11-22 CN disclosed
EP-1656361-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 US disclosed
WO-2005014563-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO 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 (3 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-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 HSP90AA1 763/4885HSP90AB1 654/4885NT5E 3077/4885
US-20250034170-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 HSP90AA1 949/4885HSP90AB1 557/4885NT5E 1297/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 HSP90AA1 763/4885HSP90AB1 654/4885NT5E 3077/4885

“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.