SCHEMBL290846

SCHEMBL290846

[CH2]c1cccc2c1Nc1ccccc1S2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 10/20 0.59
MAPT P10636 7/20 0.59
GAA P10253 6/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
SNCA P37840 3/20 0.59
ALOX15 P16050 3/20 0.59
BCHE P06276 2/20 0.59
ACHE P22303 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
CYP1A2 P05177 2/20 0.59
POLB P06746 1/20 0.59
CYP3A4 P08684 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
ALOX12 P18054 1/20 0.59
MAOA P21397 1/20 0.59
CNR1 P21554 1/20 0.59
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
HTR2C P28335 1/20 0.59

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
SCHEMBL30274184 0.82 NOX1 (0.67) NOX1MAPTGAAMEN1KMT2A
SCHEMBL10530491 0.82 NOX1 (0.67) NOX1MAPTGAAMEN1KMT2A
SCHEMBL194062 0.78 NOX1 (0.61) NOX1MAPTGAAMEN1KMT2A
SCHEMBL31331504 0.78 NOX1 (0.61) NOX1MAPTGAAMEN1KMT2A
SCHEMBL88106 0.77 NOX1 (0.59) NOX1MAPTGAAMEN1KMT2A
SCHEMBL1868577 0.77 NOX1 (0.59) NOX1MAPTGAAMEN1KMT2A
SCHEMBL11205202 0.77 NOX1 (0.59) NOX1MAPTGAAMEN1KMT2A
SCHEMBL344333 0.77 NOX1 (0.59) NOX1MAPTGAAMEN1KMT2A
SCHEMBL560873 0.77 NOX1 (0.59) NOX1MAPTGAAMEN1KMT2A
SCHEMBL4534080 0.77 NOX1 (0.59) NOX1MAPTGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007113644-A2 NEW HDAC INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-10-11 WO claimed
EP-3131897-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2022-06-15 EP disclosed
EP-3131896-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2019-01-30 EP disclosed
US-9969724-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-15 US disclosed
US-9808445-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
US-20170129880-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME LLC 2017-05-11 US disclosed
EP-3131896-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-02-22 EP disclosed
EP-3131897-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-02-22 EP disclosed
US-20170027916-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-02 US disclosed
CN-105153146-A Novel 3-hydroxyisothiazole 1-oxide derivative MOCHIDA PHARM CO LTD 2015-12-16 CN disclosed
US-7148237-B2 Nitrogen-containing heteroaryl compounds having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2006-12-12 US disclosed
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2006-11-02 US disclosed
EP-1698628-A1 HYDROXYPYRIMIDINONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY Shionogi Co., Ltd. (JP) 2006-09-06 EP disclosed
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2006-06-15 US disclosed
CN-1659143-A Nitrogen-containing heteroaryl compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2005-08-24 CN disclosed
EP-1541558-A1 HETEROCYCLIC COMPOUND HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2005-06-15 EP disclosed
US-20040127708-A1 Nitrogen-containing heteroaryl compounds having hiv integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2004-07-01 US disclosed
EP-1375486-A1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2004-01-02 EP disclosed
US-5028603-A Platelet-Activating Factor Antagonist; Useful In Treatment Of Inflammatory Diseases, Allergic Diseases, Asthma, Respiratory System Disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-07-02 US disclosed
EP-0316456-A1 ESTER-SUBSTITUTED THIENOTRIAZOLODIAZEPINE COMPOUNDS AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-05-24 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 (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-20170129880-A1 FACTOR IXa INHIBITORS F9, F12, TFPI NOX1 3112/4885MAPT 3891/4885GAA 210/4885
US-20170027916-A1 FACTOR IXa INHIBITORS F9, F12, TFPI NOX1 3112/4885MAPT 3891/4885GAA 210/4885
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 NOX1 733/4885MAPT 4304/4885GAA 1519/4885
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase CYP3A7, CDK7, CYP2A7 NOX1 730/4885MAPT 4308/4885GAA 1549/4885
US-20040127708-A1 Nitrogen-containing heteroaryl compounds having hiv integrase inhibitory activity DUT, PNP, INMT NOX1 870/4885MAPT 3771/4885GAA 2274/4885

“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.