SCHEMBL17899494

SCHEMBL17899494

CC(C)N1C/C(=C\c2ccc(Br)cc2)C(=O)/C(=C/c2ccc(Br)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
MAPT P10636 3/20 0.60
HTT P42858 2/20 0.60
KDM4E B2RXH2 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
RAB9A P51151 2/20 0.57
ALDH1A1 P00352 2/20 0.57
DRD3 P35462 1/20 0.57
MITF O75030 1/20 0.57
LMNA P02545 1/20 0.57
EGFR P00533 2/20 0.48
PTK2 Q05397 1/20 0.48
ACHE P22303 5/20 0.47
PTGS2 P35354 2/20 0.46
XDH P47989 1/20 0.46
BCHE P06276 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
APP P05067 1/20 0.41
MAOA P21397 1/20 0.40

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
SCHEMBL31518799 1.00 SMN1; SMN2 (0.60) SMN1; SMN2MAPTHTTKDM4ENPSR1
SCHEMBL31518790 0.85 SMN1; SMN2 (0.61) SMN1; SMN2MAPTHTTKDM4ENPSR1
SCHEMBL22550768 0.85 SMN1; SMN2 (0.61) SMN1; SMN2MAPTHTTKDM4ENPSR1
SCHEMBL31518781 0.84 SMN1; SMN2 (0.60) SMN1; SMN2MAPTHTTKDM4ENPSR1
SCHEMBL31518802 0.84 SMN1; SMN2 (0.60) SMN1; SMN2MAPTHTTKDM4ENPSR1
SCHEMBL17899506 0.83 ALDH1A1 (0.68) SMN1; SMN2MAPTHTTKDM4ENPSR1
SCHEMBL31518793 0.82 HSD11B1 (0.63) SMN1; SMN2MAPTHTTKDM4ENPSR1
SCHEMBL17899562 0.81 DRD3 (0.66) SMN1; SMN2MAPTHTTKDM4ERAB9A
SCHEMBL22822871 0.81 CYP1A2 (0.60) SMN1; SMN2MAPTHTTKDM4ENPSR1
SCHEMBL31518763 0.81 MAPT (0.57) SMN1; SMN2MAPTHTTKDM4ENPSR1

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 5 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
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 (2 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-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 3684/4885MAPT 4809/4885HTT 4521/4885
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 3684/4885MAPT 4809/4885HTT 4521/4885

“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.