Sugi Predict

Sugi Predict / Compounds / SCHEMBL1998567

SCHEMBL1998567

SCHEMBL1998567

COC(=O)NC([C]=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ TSHR P16473 3/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ HPGD P15428 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ OPRK1 P41145 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1998569 1.00 KMT2A (0.47) KMT2ATSHRALDH1A1CYP2C9CYP3A4
SCHEMBL1993534 0.85 HTT (0.57) KMT2ATSHRALDH1A1CYP2C9CYP2C19
SCHEMBL1993532 0.85 HTT (0.57) KMT2ATSHRALDH1A1CYP2C9CYP2C19
SCHEMBL1994993 0.83 ATM (0.48) KMT2ATSHRMAPTHPGDHTT
SCHEMBL1992449 0.83 CTSK (0.56) MAPTATM
SCHEMBL1994994 0.83 ATM (0.48) KMT2ATSHRMAPTHPGDHTT
SCHEMBL1995124 0.83 CTSK (0.56) MAPTATM
SCHEMBL1992447 0.83 CTSK (0.56) MAPTATM
SCHEMBL10667146 0.81 MTNR1A (0.44) KMT2AALDH1A1CYP2C19
SCHEMBL11700544 0.81 MTNR1A (0.44) KMT2AALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654807-B2 Toll-like receptor 8 agonists THE UNIVERSITY OF KANSAS (US) 2020-05-19 — — US disclosed
US-10471139-B2 Toll-like receptor agonists THE UNIVERSITY OF KANSAS (US) 2019-11-12 — — US disclosed
US-20160347715-A1 Toll-Like Receptor 8 Agonists THE UNIVERSITY OF KANSAS 2016-12-01 — — US disclosed
US-20160229866-A1 HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS INC. (US) 2016-08-11 — — US disclosed
EP-3046924-A1 HEPATITIS C VIRUS INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2016-07-27 — — EP disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 — — US disclosed
US-9187496-B2 5,5-fused arylene or heteroarylene hepatitis C virus inhibitors IDENIX PHARMACEUTICALS LLC (US) 2015-11-17 — — US disclosed
WO-2015095780-A1 TOLL-LIKE RECEPTOR 8 AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-06-25 — — WO disclosed
WO-2015042375-A1 HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2015-03-26 — — WO disclosed
WO-2015023958-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-02-19 — — WO disclosed
US-20120252721-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR IDENIX PHARMACEUTICALS, INC. (US) 2012-10-04 — — US disclosed
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-23 — — US disclosed
WO-2011075615-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-23 — — WO disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 — — US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 — — US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 — — EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 — — EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 — — WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 — — US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 — — EP 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 (7 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-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS TLR1, TLR7, TLR8 KMT2A 3217/4885TSHR 1137/4885ALDH1A1 1952/4885
US-10654807-B2 Toll-like receptor 8 agonists TLR8, TLR7, TLR1 KMT2A 2841/4885TSHR 1256/4885ALDH1A1 3503/4885
US-20110150827-A1 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS HAVCR2, CYP3A5, CYP2E1 KMT2A 4497/4885TSHR 4049/4885ALDH1A1 171/4885
US-20160347715-A1 Toll-Like Receptor 8 Agonists TLR8, TLR7, TLR1 KMT2A 2841/4885TSHR 1256/4885ALDH1A1 3503/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 KMT2A 3217/4885TSHR 1137/4885ALDH1A1 1952/4885
US-20120252721-A1 METHODS FOR TREATING DRUG-RESISTANT HEPATITIS C VIRUS INFECTION WITH A 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITOR HAVCR2, CYP3A5, CYP7A1 KMT2A 4174/4885TSHR 3923/4885ALDH1A1 161/4885
US-20160229866-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, LIPC, LDHB KMT2A 1634/4885TSHR 4573/4885ALDH1A1 2231/4885

“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.