SCHEMBL17899562

SCHEMBL17899562

CN1C/C(=C\c2ccc(Br)cc2)C(=O)/C(=C/c2ccc(Br)cc2)C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.66
ACHE P22303 4/20 0.62
BCHE P06276 1/20 0.62
PTGS2 P35354 1/20 0.60
HTT P42858 3/20 0.59
MAPT P10636 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 1/20 0.59
KDM4E B2RXH2 1/20 0.57
RAB9A P51151 3/20 0.54
MITF O75030 1/20 0.54
LMNA P02545 1/20 0.54
LY96 Q9Y6Y9 1/20 0.50
EGFR P00533 1/20 0.49
XDH P47989 1/20 0.49
NPC1 O15118 1/20 0.48
IKBKB O14920 1/20 0.47
RAF1 P04049 1/20 0.47

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
SCHEMBL22550766 0.84 ACHE (0.64) DRD3ACHEBCHEPTGS2HTT
SCHEMBL31518789 0.84 ACHE (0.64) DRD3ACHEBCHEPTGS2HTT
SCHEMBL31518773 0.82 HSD11B1 (0.65) DRD3ACHEBCHEPTGS2HTT
SCHEMBL11608460 0.82 ACHE (0.62) DRD3ACHEBCHEPTGS2HTT
SCHEMBL11608464 0.82 ACHE (0.62) DRD3ACHEBCHEPTGS2HTT
SCHEMBL9305010 0.81 MAPT (0.66) ACHEBCHEPTGS2HTTMAPT
SCHEMBL22822883 0.81 MAPT (0.66) ACHEBCHEPTGS2HTTMAPT
SCHEMBL9305014 0.81 MAPT (0.66) ACHEBCHEPTGS2HTTMAPT
SCHEMBL17899494 0.81 SMN1; SMN2 (0.60) DRD3ACHEBCHEPTGS2HTT
SCHEMBL15562281 0.81 DRD3 (0.74) DRD3ACHEBCHEPTGS2HTT

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 DRD3 3424/4885ACHE 4659/4885BCHE 4473/4885
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 DRD3 3424/4885ACHE 4659/4885BCHE 4473/4885

“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.