SCHEMBL6470134

SCHEMBL6470134

COc1cccc2[nH]nnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
NQO2 P16083 5/20 0.43
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 2/20 0.42
TP53 P04637 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
CBFB Q13951 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MCHR1 Q99705 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39

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
SCHEMBL736438 0.84 RHEB (0.32) KDM4E
SCHEMBL4956057 0.82 NOS1 (0.33) HPGDMEN1KMT2A
SCHEMBL8012959 0.81 PNMT (0.39) KEAP1NFE2L2HPGDALDH1A1SMN1; SMN2
SCHEMBL10489411 0.81
SCHEMBL9484127 0.80 CBFB (0.47) ALDH1A1CBFBSMN1; SMN2HSD17B10MEN1
SCHEMBL29338407 0.80 MIF (0.41) SMN1; SMN2HSD17B10MCHR1MEN1KMT2A
SCHEMBL9483444 0.78 MCHR1 (0.48) HPGDALDH1A1TP53ALOX15CBFB
SCHEMBL7707716 0.78 SLC22A6 (0.44) HPGDALDH1A1CYP3A4TP53SMN1; SMN2
SCHEMBL5410357 0.78 PIK3CB (0.33)
SCHEMBL44289 0.77 MAPT (0.33) HPGDHSD17B10LMNAPOLBMAPT

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3831387-B1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS LLC (US) 2026-01-14 EP disclosed
CN-113750107-B Neuroactive steroids, compositions and uses thereof 萨奇治疗股份有限公司 2025-02-11 CN disclosed
US-12071453-B2 Neuroactive steroids, compositions, and uses thereof SAGE THERAPEUTICS, INC. (US) 2024-08-27 US disclosed
US-20240239836-A9 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2024-07-18 US disclosed
US-20230279044-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS INC (US) 2023-09-07 US disclosed
US-11530237-B2 Compositions and methods for treating CNS disorders SAGE THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
US-11498940-B2 Neuroactive steroids, compositions, and uses thereof SAGE THERAPEUTICS, INC. (US) 2022-11-15 US disclosed
CN-113750107-A Neuroactive steroids, compositions and uses thereof 萨奇治疗股份有限公司 2021-12-07 CN disclosed
EP-3885352-A1 A COMPOUND, COMPOSITIONS THEREOF AND THIS COMPOUND FOR USE IN METHODS OF TREATING CNS DISORDERS Sage Therapeutics, Inc. (US) 2021-09-29 EP disclosed
CN-105579043-B Neuroactive steroids, compositions and uses thereof 萨奇治疗股份有限公司 2021-09-14 CN disclosed
US-20110301170-A1 Inhibitors of JNK GONG LEYI (US) 2011-12-08 US disclosed
US-20110301170-A1 Inhibitors of JNK GONG LEYI (US) 2011-12-08 US disclosed
US-20050221982-A1 Heat sensitive recording material CIBA SPECIALTY CHEMICALS CORP. 2005-10-06 US disclosed
US-6464901-B1 IN AQUEOUS SYSTEMS BEING TREATED WITH A HALOGEN BIOCIDE; NONHALOGENATED, NITROGEN CONTAINING, AROMATIC COMPOUNDS; PROVIDING SUBSTITUTION FOR THE HYDROGENS OF THE BENZENE RING OF A BENZOTRIAZOLE BL TECHNOLOGIES, INC. 2002-10-15 US disclosed
EP-0393721-A2 Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1990-10-24 EP disclosed
US-4719248-A BENZOTRIAZOLE UNSATURATED AMIDE BAUSCH & LOMB INCORPORATED (US) 1988-01-12 US disclosed
EP-0221630-A2 Ultraviolet blocking agents for contact lenses BAUSCH & LOMB INCORPORATED (US) 1987-05-13 EP disclosed
US-4536189-A FUEL ADDITIVE FOR GASOHOL TEXACO INC. (US) 1985-08-20 US disclosed
EP-0144087-A2 Heat-developable color light-sensitive material KONICA CORPORATION (JP) 1985-06-12 EP disclosed
US-4376635-A Novel gasohol or ethanol fuel composition containing as a corrosion inhibitor the reaction product of benzothiazole, formaldehyde and an N-alkyl propylene diamine TEXACO INC. (US) 1983-03-15 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 (6 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-11530237-B2 Compositions and methods for treating CNS disorders ADRA1B, ADRA2B, ADRA1A KEAP1 2086/4885NFE2L2 3766/4885NQO2 2023/4885
US-12071453-B2 Neuroactive steroids, compositions, and uses thereof TACR2, OPRL1, TACR1 KEAP1 2571/4885NFE2L2 2842/4885NQO2 1814/4885
US-20240239836-A9 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF ADRB2, TACR2, CNR1 KEAP1 2551/4885NFE2L2 2880/4885NQO2 1516/4885
US-20230279044-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF ADRB2, TACR2, CNR1 KEAP1 2551/4885NFE2L2 2880/4885NQO2 1516/4885
US-20110301170-A1 Inhibitors of JNK MAPK6, MAP3K6, MAPK1 KEAP1 570/4885NFE2L2 979/4885NQO2 1187/4885
US-11498940-B2 Neuroactive steroids, compositions, and uses thereof TACR2, GABRA5, CNR1 KEAP1 2904/4885NFE2L2 3055/4885NQO2 1551/4885

“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.