SCHEMBL17899491

SCHEMBL17899491

O=C1/C(=C/c2cccnc2)CCC/C1=C\c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 1.00
RAB9A P51151 8/20 1.00
SMN1; SMN2 Q16637 7/20 1.00
HTT P42858 7/20 1.00
ATM Q13315 2/20 1.00
ALDH1A1 P00352 6/20 0.68
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
LMNA P02545 5/20 0.65
MAPK1 P28482 4/20 0.65
MITF O75030 3/20 0.65
NPC1 O15118 2/20 0.65
NSD2 O96028 1/20 0.65
CYP19A1 P11511 5/20 0.64
MIF P14174 3/20 0.64
PKM P14618 1/20 0.64
HSP90AA1 P07900 2/20 0.64
XBP1 P17861 1/20 0.64
CYP11B1 P15538 4/20 0.63
CYP11B2 P19099 4/20 0.63

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
SCHEMBL30852828 0.93 MAPT (1.00) MAPTRAB9ASMN1; SMN2HTTATM
SCHEMBL30852868 0.93 MAPT (1.00) MAPTRAB9ASMN1; SMN2HTTATM
SCHEMBL625565 0.88 MAPT (0.79) MAPTRAB9ASMN1; SMN2HTTATM
SCHEMBL17899483 0.87 MAPT (0.76) MAPTRAB9ASMN1; SMN2HTTATM
SCHEMBL14435892 0.86 MAPT (0.74) MAPTRAB9ASMN1; SMN2HTTATM
SCHEMBL5593668 0.85 MAPT (0.73) MAPTRAB9ASMN1; SMN2HTTATM
SCHEMBL624720 0.85 MAPT (0.73) MAPTRAB9ASMN1; SMN2HTTATM
SCHEMBL5594253 0.85 MAPT (0.73) MAPTRAB9ASMN1; SMN2HTTATM
SCHEMBL10063367 0.85 MAPT (0.73) MAPTRAB9ASMN1; SMN2HTTATM
SCHEMBL30077207 0.83 MAPT (0.70) MAPTRAB9ASMN1; SMN2HTTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357200-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR-3 AND METHODS OF THEIR USE AS CARDIOPROTECTIVE AND/OR VASCULAR REGENERATIVE AGENTS BAYLOR COLLEGE OF MEDICINE (US) 2023-11-09 US disclosed
US-20230357200-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR-3 AND METHODS OF THEIR USE AS CARDIOPROTECTIVE AND/OR VASCULAR REGENERATIVE AGENTS BAYLOR COLLEGE OF MEDICINE (US) 2023-11-09 US disclosed
US-11708350-B2 Small molecule stimulators of steroid receptor coactivator-3 and methods of their use as cardioprotective and/or vascular regenerative agents BAYLOR COLLEGE OF MEDICINE (US) 2023-07-25 US disclosed
US-11708350-B2 Small molecule stimulators of steroid receptor coactivator-3 and methods of their use as cardioprotective and/or vascular regenerative agents BAYLOR COLLEGE OF MEDICINE (US) 2023-07-25 US disclosed
US-11312676-B2 Small molecule stimulators of steroid receptor coactivator proteins and their use in the treatment of cancer BAYLOR COLLEGE OF MEDICINE (US) 2022-04-26 US disclosed
US-20210115017-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR-3 AND METHODS OF THEIR USE AS CARDIOPROTECTIVE AND/OR VASCULAR REGENERATIVE AGENTS BAYLOR COLLEGE OF MEDICINE (US) 2021-04-22 US disclosed
US-10875841-B2 Small molecule stimulators of steroid receptor coactivator-3 and methods of their use as cardioprotective and/or vascular regenerative agents BAYLOR COLLEGE OF MEDICINE (US) 2020-12-29 US disclosed
US-20200071300-A1 Small Molecule Stimulators of Steroid Receptor Coactivator-3 and Methods of Their Use as Cardioprotective and/or Vascular Regenerative Agents BAYLOR COLLEGE OF MEDICINE (US) 2020-03-05 US disclosed
WO-2016109470-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR PROTEINS AND THEIR USE IN THE TREATMENT OF CANCER BAYLOR COLLEGE OF MEDICINE (US) 2016-07-07 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 (6 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-20200071300-A1 Small Molecule Stimulators of Steroid Receptor Coactivator-3 and Methods of Their Use as Cardioprotective and/or Vascular Regenerative Agents NCOA3, FABP3, NCOA1 MAPT 4809/4885RAB9A 4198/4885SMN1; SMN2 3684/4885
US-11312676-B2 Small molecule stimulators of steroid receptor coactivator proteins and their use in the treatment of cancer NCOA2, NCOA1, NCOA3 MAPT 4834/4885RAB9A 3983/4885SMN1; SMN2 4722/4885
US-20210115017-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR-3 AND METHODS OF THEIR USE AS CARDIOPROTECTIVE AND/OR VASCULAR REGENERATIVE AGENTS NCOA3, FABP3, NCOA1 MAPT 4809/4885RAB9A 4198/4885SMN1; SMN2 3684/4885
US-11708350-B2 Small molecule stimulators of steroid receptor coactivator-3 and methods of their use as cardioprotective and/or vascular regenerative agents NCOA3, FABP3, NCOA1 MAPT 4809/4885RAB9A 4198/4885SMN1; SMN2 3684/4885
US-10875841-B2 Small molecule stimulators of steroid receptor coactivator-3 and methods of their use as cardioprotective and/or vascular regenerative agents NCOA3, FABP3, NCOA1 MAPT 4809/4885RAB9A 4198/4885SMN1; SMN2 3684/4885
US-20230357200-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR-3 AND METHODS OF THEIR USE AS CARDIOPROTECTIVE AND/OR VASCULAR REGENERATIVE AGENTS NCOA3, FABP3, NCOA1 MAPT 4809/4885RAB9A 4198/4885SMN1; SMN2 3684/4885

“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.