SCHEMBL11976503

SCHEMBL11976503

COC(=O)Cc1ccc2cc[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.53
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
ABL1 P00519 1/20 0.47
ENPP2 Q13822 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
MAOA P21397 2/20 0.46
HSP90AB1 P08238 1/20 0.45
MAPT P10636 2/20 0.44
ACACB O00763 1/20 0.44
APP P05067 1/20 0.44

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
SCHEMBL16180236 0.88 HDAC1 (0.53) ALDH1A1GAAGFERABL1ENPP2
SCHEMBL11976581 0.85 ABL1 (0.46) NLRP3ALDH1A1MEN1POLBMAPK1
SCHEMBL30054080 0.85 NLRP3 (0.52) NLRP3ALDH1A1MEN1POLBMAPK1
SCHEMBL10420380 0.85 NLRP3 (0.52) NLRP3ALDH1A1MEN1POLBMAPK1
SCHEMBL12481099 0.84 NLRP3 (0.48) NLRP3ALDH1A1MEN1POLBMAPK1
SCHEMBL10645020 0.81 NLRP3 (0.60) NLRP3ALDH1A1ABL1ENPP2HPGD
SCHEMBL11977349 0.80 PDE3B (0.55) NLRP3MEN1POLBMAPK1KMT2A
SCHEMBL29627552 0.80 KDM4E (0.56) NLRP3ALDH1A1GAAMEN1POLB
SCHEMBL3105331 0.80 KDM4E (0.56) NLRP3ALDH1A1GAAMEN1POLB
SCHEMBL16413133 0.80 ALDH1A1 (0.48) ALDH1A1GAAGFERMEN1KMT2A

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
US-12606557-B2 Substituted indoles with inhibitory activity UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2026-04-21 US disclosed
US-20230192684-A1 SUBSTITUTED INDOLES WITH INHIBITORY ACTIVITY UNIV OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER HIGHER EDUCATION (US) 2023-06-22 US disclosed
US-20230192684-A1 SUBSTITUTED INDOLES WITH INHIBITORY ACTIVITY UNIV OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER HIGHER EDUCATION (US) 2023-06-22 US disclosed
US-20230192684-A1 SUBSTITUTED INDOLES WITH INHIBITORY ACTIVITY UNIV OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER HIGHER EDUCATION (US) 2023-06-22 US disclosed
WO-2021243018-A1 SUBSTITUTED INDOLES WITH INHIBITORY ACTIVITY UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-12-02 WO disclosed
US-9359350-B2 Ring-fused compound SATO PHARMACEUTICAL CO., LTD. (JP) 2016-06-07 US disclosed
US-20150203490-A1 RING-FUSED COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2015-07-23 US disclosed
US-8987473-B2 Ring-fused compound SATO PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
WO-2012102405-A1 RING-FUSED COMPOUND 佐藤製薬株式会社 (JP) 2012-08-02 WO disclosed
WO-2008095908-A1 1-BENZENESULFONYL-1H-INDOLE DERIVATIVES AS INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2008-08-14 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 (3 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-12606557-B2 Substituted indoles with inhibitory activity IDO1, BCL9, IDO2 NLRP3 1989/4885ALDH1A1 754/4885GAA 4829/4885
US-20230192684-A1 SUBSTITUTED INDOLES WITH INHIBITORY ACTIVITY IDO1, IDO2, INMT NLRP3 1786/4885ALDH1A1 1893/4885GAA 3640/4885
US-20150203490-A1 RING-FUSED COMPOUND URB2, RCOR1, RCC2 NLRP3 1156/4885ALDH1A1 487/4885GAA 2071/4885

“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.