SCHEMBL17899485

SCHEMBL17899485

CC1C/C(=C\c2ccccn2)C(=O)/C(=C/c2ccccn2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 1.00
NPC1 O15118 6/20 1.00
RAB9A P51151 6/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
ALDH1A1 P00352 4/20 1.00
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
XBP1 P17861 3/20 1.00
NPSR1 Q6W5P4 3/20 1.00
PKM P14618 2/20 1.00
KDM4E B2RXH2 2/20 1.00
MAPK1 P28482 8/20 0.71
HSP90AA1 P07900 2/20 0.71
IKBKB O14920 5/20 0.64
PRKAG1 P54619 5/20 0.64
PRKAA1 Q13131 5/20 0.64
NEK1 Q96PY6 5/20 0.64
PRKAB1 Q9Y478 5/20 0.64
RAF1 P04049 3/20 0.64
RPS6KB1 P23443 3/20 0.64

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
SCHEMBL17899568 0.83 NPC1 (0.71) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17899524 0.83 MAPT (0.71) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12948680 0.78 MAPK1 (0.70) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29794510 0.78 IKBKB (1.00) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21460534 0.78 IKBKB (1.00) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8106620 0.78 IKBKB (1.00) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21460535 0.78 IKBKB (1.00) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8120726 0.77 IKBKB (1.00) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29437157 0.77 IKBKB (1.00) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27218175 0.77 IKBKB (1.00) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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 4809/4885NPC1 4666/4885RAB9A 4198/4885
US-11312676-B2 Small molecule stimulators of steroid receptor coactivator proteins and their use in the treatment of cancer NCOA2, NCOA1, NCOA3 MAPT 4834/4885NPC1 3993/4885RAB9A 3983/4885
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 4809/4885NPC1 4666/4885RAB9A 4198/4885
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 4809/4885NPC1 4666/4885RAB9A 4198/4885
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 4809/4885NPC1 4666/4885RAB9A 4198/4885
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 4809/4885NPC1 4666/4885RAB9A 4198/4885

“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.