SCHEMBL7916406

SCHEMBL7916406

c1ccc2sc(-c3ncco3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.46
CYP19A1 P11511 1/20 0.46
APP P05067 2/20 0.44
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
LTA4H P09960 1/20 0.41
S1PR1 P21453 1/20 0.40
CHUK O15111 1/20 0.40
IKBKG Q9Y6K9 1/20 0.40
CYP2A6 P11509 2/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
FAAH O00519 1/20 0.39
HPGDS O60760 1/20 0.39
KDM1A O60341 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL30633034 0.80 MEN1 (0.39) LTA4HHPGDSADORA2AADORA1
SCHEMBL30632958 0.80 ADRA1A (0.36) LTA4HHPGDSADORA2AADORA1
SCHEMBL22058646 0.76 LTA4H (0.40) IKBKBCYP19A1APPLTA4HS1PR1
SCHEMBL29732980 0.73 APP (0.63) CYP19A1APPCYP2A6HSD17B1HSD17B2
SCHEMBL845603 0.73 APP (0.63) CYP19A1APPCYP2A6HSD17B1HSD17B2
SCHEMBL2581028 0.73 CYP19A1 (0.64) IKBKBCYP19A1APPPIK3CACHUK
SCHEMBL5545113 0.71 LTA4H (0.33) LTA4HHPGDSADORA2AADORA1
SCHEMBL21535251 0.70 PIK3R1 (0.58) IKBKBAPPPIK3R1PIK3CACYP2A6
SCHEMBL403651 0.70 CYP19A1 (0.60) IKBKBCYP19A1APPPIK3CACHUK
SCHEMBL29415478 0.70 CYP19A1 (0.60) IKBKBCYP19A1APPPIK3CACHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1082945-C Alkoximino acetamide BAYER AG (DE) 2002-04-17 CN claimed
CN-1200725-A Acylaminosalicyclic acid amide compound BAYER AG (DE) 1998-12-02 CN claimed
US-20200227644-A1 ORGANIC LIGHT-EMITTING DIODE OPERABLE AT LOW VOLTAGE WITH HIGH EFFICIENCY AND LONG LIFETIME SFC CO., LTD. (KR) 2020-07-16 US disclosed
EP-3660934-A1 ORGANIC LIGHT EMITTING ELEMENT CAPABLE OF DRIVING AT LOW VOLTAGE AND HAVING HIGH EFFICIENCY AND LONG LIFE CHARACTERISTICS SFC Co., Ltd. (KR) 2020-06-03 EP disclosed
US-20180072753-A1 NOVEL ORGANIC HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE COMPRISING SAME SFC CO., LTD. (KR) 2018-03-15 US disclosed
CN-1938278-B Process for producing 5-hydroxy-4-thiomethylpyrazole compound IHARA CHEMICAL IND CO 2012-12-12 CN disclosed
CN-102811713-A Multifunctional Zwitterionic Polymer Conjugates OLIGASIS 2012-12-05 CN disclosed
CN-1993362-B Fused Heterocyclic Compounds TAKEDA PHARMACEUTICAL 2010-12-15 CN disclosed
CN-100372840-C Intermediate for the preparation of epimino BAYER AG (DE) 2008-03-05 CN disclosed
CN-100351237-C Heterocyclic compounds, process for their preparation, pharmaceutical compositions containing them and their use in medicine CADILA HEALTHCARE LTD (IN) 2007-11-28 CN disclosed
CN-1247541-C Cyclic imines as pesticides BAYER AG (DE) 2006-03-29 CN disclosed
CN-1704406-A Intermediate for the preparation of epimino BAYER AG (DE) 2005-12-07 CN disclosed
CN-1681498-A Diaryl ethers as opioid receptor antagonist LILLY CO ELI (US) 2005-10-12 CN disclosed
CN-1642918-A Novel hererocyclic compound and preparation thereof and medicine composition containing same and use thereof in medicine CADILA HEALTHCARE LTD (IN) 2005-07-20 CN disclosed
CN-1082945-C Alkoximino acetamide BAYER AG (DE) 2002-04-17 CN disclosed
US-6225334-B1 AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-05-01 US disclosed
CN-1244860-A Cyclic imines as pesticides BAYER AG (DE) 2000-02-16 CN disclosed
CN-1200725-A Acylaminosalicyclic acid amide compound BAYER AG (DE) 1998-12-02 CN 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 (1 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-20180072753-A1 NOVEL ORGANIC HETEROCYCLIC COMPOUND AND LIGHT-EMITTING DEVICE COMPRISING SAME OR10J3, CRY1, NR2E3 IKBKB 3388/4885CYP19A1 68/4885APP 1427/4885

“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.