SCHEMBL17899495

SCHEMBL17899495

CC(C)N1C/C(=C\c2cccnc2)C(=O)/C(=C/c2cccnc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 1.00
RAB9A P51151 6/20 1.00
ALDH1A1 P00352 6/20 1.00
LMNA P02545 5/20 1.00
MITF O75030 3/20 1.00
MAPT P10636 10/20 0.72
HTT P42858 6/20 0.72
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
ATM Q13315 2/20 0.60
MAPK1 P28482 2/20 0.59
NPC1 O15118 1/20 0.59
NSD2 O96028 1/20 0.59
TP53 P04637 1/20 0.59
HSP90AA1 P07900 1/20 0.56
KDM4E B2RXH2 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
THRB P10828 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 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
SCHEMBL17899480 0.89 SMN1; SMN2 (0.80) SMN1; SMN2RAB9AALDH1A1LMNAMITF
SCHEMBL17899478 0.84 SMN1; SMN2 (0.72) SMN1; SMN2RAB9AALDH1A1LMNAMITF
SCHEMBL2552614 0.84 MAPT (1.00) SMN1; SMN2RAB9AALDH1A1LMNAMITF
SCHEMBL17899560 0.84 MAPT (1.00) SMN1; SMN2RAB9AALDH1A1LMNAMITF
SCHEMBL14740268 0.84 MAPT (1.00) SMN1; SMN2RAB9AALDH1A1LMNAMITF
SCHEMBL17899506 0.82 ALDH1A1 (0.68) SMN1; SMN2RAB9AALDH1A1LMNAMITF
SCHEMBL17899516 0.80 MAPT (0.72) SMN1; SMN2RAB9AALDH1A1LMNAMITF
SCHEMBL30852868 0.78 MAPT (1.00) SMN1; SMN2RAB9AALDH1A1LMNAMITF
SCHEMBL30852828 0.78 MAPT (1.00) SMN1; SMN2RAB9AALDH1A1LMNAMITF
SCHEMBL21774019 0.77 MAPT (0.68) SMN1; SMN2RAB9AALDH1A1LMNAMITF

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 SMN1; SMN2 3684/4885RAB9A 4198/4885ALDH1A1 4425/4885
US-11312676-B2 Small molecule stimulators of steroid receptor coactivator proteins and their use in the treatment of cancer NCOA2, NCOA1, NCOA3 SMN1; SMN2 4722/4885RAB9A 3983/4885ALDH1A1 4727/4885
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 SMN1; SMN2 3684/4885RAB9A 4198/4885ALDH1A1 4425/4885
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 SMN1; SMN2 3684/4885RAB9A 4198/4885ALDH1A1 4425/4885
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 SMN1; SMN2 3684/4885RAB9A 4198/4885ALDH1A1 4425/4885
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 SMN1; SMN2 3684/4885RAB9A 4198/4885ALDH1A1 4425/4885

“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.