SCHEMBL17899571

SCHEMBL17899571

CC(C)N1C/C(=C\c2cccnc2Br)C(=O)/C(=C/c2cccnc2Br)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
RAB9A P51151 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MITF O75030 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 4/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
EGFR P00533 2/20 0.45
PTK2 Q05397 2/20 0.45
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
IKBKB O14920 2/20 0.42
RAF1 P04049 1/20 0.42
RPS6KB1 P23443 1/20 0.42
MAPK1 P28482 1/20 0.42
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL31518766 0.80 HSD11B1 (0.61) SMN1; SMN2RAB9AALDH1A1MITFLMNA
SCHEMBL17899564 0.76 MAPK1 (0.71) SMN1; SMN2RAB9AALDH1A1MITFLMNA
SCHEMBL31518771 0.76 ACHE (0.58) SMN1; SMN2RAB9AALDH1A1MITFLMNA
SCHEMBL31518803 0.74 IKBKB (0.58) SMN1; SMN2RAB9AALDH1A1MITFLMNA
SCHEMBL31518787 0.73 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AALDH1A1MITFLMNA
SCHEMBL17899495 0.72 SMN1; SMN2 (1.00) SMN1; SMN2RAB9AALDH1A1MITFLMNA
SCHEMBL31518778 0.72 ACHE (0.61) SMN1; SMN2RAB9AALDH1A1MITFLMNA
SCHEMBL17899532 0.72 ACHE (0.61) SMN1; SMN2RAB9AALDH1A1MITFLMNA
SCHEMBL17899494 0.71 SMN1; SMN2 (0.60) SMN1; SMN2RAB9AALDH1A1MITFLMNA
SCHEMBL31518799 0.71 SMN1; SMN2 (0.60) SMN1; SMN2RAB9AALDH1A1MITFLMNA

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 3684/4885RAB9A 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.