SCHEMBL7091522

SCHEMBL7091522

CC(C)(C)OC(=O)CN1C(=O)C(=O)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
AGTR1 P30556 1/20 0.67
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.56
BCHE P06276 2/20 0.53
CES1 P23141 2/20 0.53
TGM2 P21980 1/20 0.53
MAPT P10636 3/20 0.51
TP53 P04637 2/20 0.51
HSD17B10 Q99714 1/20 0.51
CASP3 P42574 1/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL27703398 0.84 ALDH1A1 (0.72) ALDH1A1AGTR1KMT2AMEN1BCHE
SCHEMBL24714971 0.83 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL18954431 0.82 ALDH1A1 (0.72) ALDH1A1AGTR1KMT2AMEN1MAPT
SCHEMBL18955121 0.81 ALDH1A1 (0.53) ALDH1A1AGTR1CES1CASP3
SCHEMBL18954565 0.81 PARK7 (0.62) ALDH1A1AGTR1CES1CASP3
SCHEMBL18954782 0.81 ALDH1A1 (0.53) ALDH1A1AGTR1KMT2ABCHECES1
SCHEMBL11959136 0.81 ALDH1A1 (0.53) ALDH1A1AGTR1CES1MAPTCASP3
SCHEMBL18954832 0.81 APAF1 (0.48) ALDH1A1AGTR1KMT2AMAPTHSD17B10
SCHEMBL18954721 0.81 CUL4A (0.53) ALDH1A1AGTR1KMT2AMEN1CES1
SCHEMBL14876312 0.81 PARK7 (0.48) ALDH1A1AGTR1KMT2AMEN1MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101415713-A New spiro [imidazolidine-4, 3'-indole]-2,2',5 (1'H)-trione useful for the treatment of vanilloid receptor 1-related disorders ASTRAZENECA AB (SE) 2009-04-22 CN claimed
WO-2017099695-A1 N-[(AMINOSULFONYL)PHENYL]-2-(1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)-HYDRAZINECARBOTHIOAMIDE DERIVATIVES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS ISTANBUL UNIVERSITESI REKTORLUGU (TR) 2017-06-15 WO disclosed
CN-101415713-A New spiro [imidazolidine-4, 3'-indole]-2,2',5 (1'H)-trione useful for the treatment of vanilloid receptor 1-related disorders ASTRAZENECA AB (SE) 2009-04-22 CN disclosed
US-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-03-19 US disclosed
WO-2007091948-A2 NOVEL SPIRO [IMIDAZOLIDINE-4, 3´-INDOLE] 2, 2´,5´(1H) TRIONES FOR TREATMENT OF CONDITIONS ASSOCIATED WITH VANILLOID RECEPTOR 1 ASTRAZENECA AB (SE) 2007-08-16 WO disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-20030121113-A1 Oxobenzofuranylide-dihydroindolone NESVADBA PETER (CH) 2003-07-03 US disclosed
US-6503937-B1 Coloring agents for high molecular weight materials such as polymers CIBA SPECIALTY CHEMICALS CORPORATION 2003-01-07 US 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-20030121113-A1 Oxobenzofuranylide-dihydroindolone CYP1B1, CYP1A1, ECI1 ALDH1A1 225/4885AGTR1 270/4885KMT2A 3786/4885
US-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 TRPV1, TRPV5, TRPV2 ALDH1A1 550/4885AGTR1 37/4885KMT2A 4449/4885

“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.