SCHEMBL18885332

SCHEMBL18885332

CSNC(=O)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ EPHX1 P07099 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ NAAA Q02083 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD11B1 P28845 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CETP P11597 1/20 0.41
▸ LMNA P02545 1/20 0.40

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
SCHEMBL20230878 0.88 — —
SCHEMBL21898008 0.78 POLB (0.48) EPHX1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL18938465 0.73 HDAC8 (0.61) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL18935496 0.73 HDAC8 (0.61) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL6917808 0.73 HDAC8 (0.61) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL24618011 0.73 HDAC8 (0.61) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL413228 0.73 HDAC8 (0.61) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL18934846 0.73 HDAC8 (0.61) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL21212072 0.73 HDAC8 (0.61) HDAC8HDAC6EPHX1CES2CES1
SCHEMBL13060381 0.73 HDAC8 (0.61) HDAC8HDAC6EPHX1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081759-A1 BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF RELAY THERAPEUTICS, INC. (US) 2023-05-11 — — WO disclosed
US-10562893-B2 Benzimidazoles derivatives as Tec kinases family inhibitors GB005, INC. (US) 2020-02-18 — — US disclosed
US-10377768-B2 Tetrahydronaphthyridine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2019-08-13 — — US disclosed
US-10208061-B2 Tetrahydro[1,8]naphthyridine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-02-19 — — US disclosed
US-20180179224-A1 Tetrahydro[1,8]naphthyridine Sulfonamide And Related Compounds for Use as Agonists of RORy and the Treatment of Disease WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-06-28 — — US disclosed
US-20170313722-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2017-11-02 — — US disclosed
US-9802958-B2 Tetrahydro[1,8]naphthyridine sulfonamide and related compounds for use as agonists of RORy and the treatment of disease LYCERA CORPORATION (US) 2017-10-31 — — US disclosed
US-9657033-B2 Tetrahydronaphthyridine and related bicyclic compounds for inhibition of RORγ activity and the treatment of disease LYCERA CORPORATION (US) 2017-05-23 — — 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 (5 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-10562893-B2 Benzimidazoles derivatives as Tec kinases family inhibitors BMX, TEC, BTK HDAC8 887/4885HDAC6 515/4885EPHX1 514/4885
US-10377768-B2 Tetrahydronaphthyridine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORC, RORB, RORA HDAC8 1460/4885HDAC6 1018/4885EPHX1 1529/4885
US-20170313722-A1 TETRAHYDRONAPHTHYRIDINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORC, RORB, RORA HDAC8 1460/4885HDAC6 1018/4885EPHX1 1529/4885
US-20180179224-A1 Tetrahydro[1,8]naphthyridine Sulfonamide And Related Compounds for Use as Agonists of RORy and the Treatment of Disease RORA, RORC, RORB HDAC8 921/4885HDAC6 1074/4885EPHX1 694/4885
US-10208061-B2 Tetrahydro[1,8]naphthyridine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORC, RORA, RORB HDAC8 593/4885HDAC6 791/4885EPHX1 1259/4885

“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.

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