SCHEMBL290727

SCHEMBL290727

C[CH]c1cccc2c1Nc1ccccc1S2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 10/20 0.53
MAPT P10636 7/20 0.53
GAA P10253 6/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALOX15 P16050 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
BCHE P06276 2/20 0.53
ACHE P22303 2/20 0.53
SNCA P37840 2/20 0.53
CYP1A2 P05177 2/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
ALOX12 P18054 1/20 0.53
MAOA P21397 1/20 0.53
CNR1 P21554 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR2C P28335 1/20 0.53

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
SCHEMBL1767892 0.83 NOX1 (0.53) NOX1MAPTGAAMEN1KMT2A
SCHEMBL112298 0.83 NOX1 (0.53) NOX1MAPTGAAMEN1KMT2A
SCHEMBL6005188 0.83 NOX1 (0.53) NOX1MAPTGAAMEN1KMT2A
SCHEMBL30537318 0.83 NOX1 (0.53) NOX1MAPTGAAMEN1KMT2A
SCHEMBL30957952 0.79 NOX1 (0.48) NOX1MAPTGAAMEN1KMT2A
SCHEMBL988100 0.79 NOX1 (0.48) NOX1MAPTGAAMEN1KMT2A
SCHEMBL988099 0.79 NOX1 (0.48) NOX1MAPTGAAMEN1KMT2A
SCHEMBL31331504 0.78 NOX1 (0.61) NOX1MAPTGAAMEN1KMT2A
SCHEMBL194062 0.78 NOX1 (0.61) NOX1MAPTGAAMEN1KMT2A
SCHEMBL10530491 0.77 NOX1 (0.67) 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832898-A2 Substituted amino acid derivatives BAYER AG (DE) 1998-04-01 EP claimed
EP-2033952-B1 Nitrogen-containing Heteroaryl compounds having HIV Integrase Inhibitory Activity SHIONOGI & CO (JP) 2012-08-29 EP disclosed
EP-2321319-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2012-03-14 EP disclosed
US-7998950-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-08-16 US disclosed
EP-2321319-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2011-05-18 EP disclosed
US-20100204237-A1 Hydroxypyrimidinone derivatives having inhibitory activity against HIV integrase MIKAMIYAMA HIDENORI 2010-08-12 US disclosed
US-7759372-B2 Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2010-07-20 US disclosed
US-7745453-B2 Hydroxypyrimidinone derivatives having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2010-06-29 US disclosed
WO-2010011959-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 WO disclosed
US-20100022508-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 US disclosed
US-20070149556-A1 Hydroxypyrimidinone derivatives having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2007-06-28 US disclosed
US-20060293334-A1 Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase FUJI MASAHIRO 2006-12-28 US 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
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
EP-0832898-A2 Substituted amino acid derivatives BAYER AG (DE) 1998-04-01 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-20070149556-A1 Hydroxypyrimidinone derivatives having inhibitory activity against hiv integrase HAT1, SULT1A1, CDK20 NOX1 315/4885MAPT 4479/4885GAA 1623/4885
US-20060293334-A1 Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase ZC3HAV1, INTS9, PRDM9 NOX1 1048/4885MAPT 3735/4885GAA 2376/4885
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
US-20100204237-A1 Hydroxypyrimidinone derivatives having inhibitory activity against HIV integrase HAT1, SULT1A1, CDK20 NOX1 315/4885MAPT 4479/4885GAA 1623/4885
US-20100022508-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NOX1 3704/4885MAPT 2923/4885GAA 151/4885

“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.