SCHEMBL1285449

SCHEMBL1285449

CCC(=O)NCc1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.56
CYP1A2 P05177 1/20 0.52
CYP2A6 P11509 1/20 0.52
LSS P48449 1/20 0.51
NR1H4 Q96RI1 1/20 0.50
HDAC3 O15379 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC8 Q9BY41 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL934187 0.84 HPGD (0.61) HDAC3HDAC1HDAC2HDAC8MEN1
SCHEMBL13652571 0.84 MTNR1A (0.62) HDAC1HDAC8
SCHEMBL11115457 0.83 AOC3 (0.60) IDO1LSSNR1H4HDAC3HDAC1
SCHEMBL27403714 0.83 EPHX2 (0.67) CYP1A2HDAC3HDAC1HDAC2HDAC8
SCHEMBL8081788 0.83 IDO1 (0.59) IDO1CYP1A2CYP2A6NR1H4HDAC3
SCHEMBL15915236 0.82 ERCC1 (0.68) NR1H4HDAC3HDAC1HDAC2HDAC8
SCHEMBL1695082 0.81 NR1H4 (0.58) IDO1CYP1A2NR1H4HDAC3HDAC1
SCHEMBL29194232 0.80 TSHR (0.61) IDO1LSSNR1H4HDAC3HDAC1
SCHEMBL28378302 0.80 NR1H4 (0.54) IDO1NR1H4HDAC3HDAC1HDAC2
SCHEMBL15915171 0.80 ERCC1 (0.69) CYP1A2HDAC1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 US disclosed
CN-110194731-B Mercaptopropionic acid amide compound, preparation method and medicinal application thereof 复旦大学 2021-05-04 CN disclosed
US-20180305373-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO Prism BioLab Co., Ltd. (JP) 2018-10-25 US disclosed
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
US-9682996-B2 Alpha helix mimetic compositions for treating cancer and other CBP/catenin-mediated diseases and conditions Prism BioLab Co., Ltd. (JP) 2017-06-20 US disclosed
US-20150376204-A1 ALPHA HELIX MIMETIC COMPOSITIONS FOR TREATING CANCER AND OTHER CBP/CATENIN-MEDIATED DISEASES AND CONDITIONS Prism BioLab Co., Ltd. (JP) 2015-12-31 US disclosed
US-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO Prism BioLab Co., Ltd. (JP) 2015-12-24 US disclosed
US-9126981-B2 Alpha helix mimetic compositions for treating cancer and other CBP/catenin-mediated diseases and conditions Prism BioLab Co., Ltd. (JP) 2015-09-08 US disclosed
US-9040531-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2015-05-26 US disclosed
US-8809280-B2 Therapeutic peptides LYTIX BIOPHARMA AS (NO) 2014-08-19 US disclosed
US-20140221657-A1 ALPHA HELIX MIMETIC COMPOSITIONS FOR TREATING CANCER AND OTHER CBP/CATENIN-MEDIATED DISEASES AND CONDITIONS PRISM BIOLAB CORPORATION (JP) 2014-08-07 US disclosed
US-20130035296-A1 THERAPEUTIC PEPTIDES LYTIX BIOPHARMA AS (NO) 2013-02-07 US disclosed
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 US disclosed
US-20090247734-A1 Chemically Derivatized CD4 and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-01 US disclosed
US-20090247734-A1 Chemically Derivatized CD4 and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-01 US disclosed
WO-2007075414-A2 CHEMICALLY DERIVATIZED CD4 AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-07-05 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 (9 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-20150368262-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO IDO1 2687/4885CYP1A2 3371/4885CYP2A6 2913/4885
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO IDO1 2687/4885CYP1A2 3371/4885CYP2A6 2913/4885
US-20130035296-A1 THERAPEUTIC PEPTIDES VIP, LNPEP, ANPEP IDO1 2411/4885CYP1A2 4884/4885CYP2A6 4845/4885
US-20090247734-A1 Chemically Derivatized CD4 and Uses Thereof CD4, CD40LG, CD14 IDO1 312/4885CYP1A2 3539/4885CYP2A6 2921/4885
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 IDO1 2712/4885CYP1A2 2922/4885CYP2A6 3869/4885
US-20180305373-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO IDO1 2687/4885CYP1A2 3371/4885CYP2A6 2913/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO IDO1 2687/4885CYP1A2 3371/4885CYP2A6 2913/4885
US-20150376204-A1 ALPHA HELIX MIMETIC COMPOSITIONS FOR TREATING CANCER AND OTHER CBP/CATENIN-MEDIATED DISEASES AND CONDITIONS CREBBP, CTNNB1, CTNNA1 IDO1 3948/4885CYP1A2 4661/4885CYP2A6 4262/4885
US-20140221657-A1 ALPHA HELIX MIMETIC COMPOSITIONS FOR TREATING CANCER AND OTHER CBP/CATENIN-MEDIATED DISEASES AND CONDITIONS CREBBP, CTNNB1, CTNNA1 IDO1 3948/4885CYP1A2 4661/4885CYP2A6 4262/4885

“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.