SCHEMBL51671

SCHEMBL51671

CC(=N)c1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
NPC1 O15118 3/20 0.56
KDM4E B2RXH2 8/20 0.48
HPGD P15428 8/20 0.48
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CA12 O43570 2/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA1 P00915 1/20 0.48
HMGB1 P09429 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
LMNA P02545 5/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 5/20 0.46

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
Methane SCHEMBL27858169 0.97 KMT2A (0.54) KMT2AMEN1NPC1KDM4EHPGD
Propane SCHEMBL28009937 0.93 KMT2A (0.50) KMT2AMEN1NPC1KDM4EHPGD
SCHEMBL23550094 0.78 TRPA1 (0.50) KMT2AMEN1NPC1KDM4EHPGD
SCHEMBL9130593 0.78 HPGD (0.52) KMT2AMEN1NPC1KDM4EHPGD
SCHEMBL28324729 0.78 KMT2A (0.61) KMT2AMEN1NPC1KDM4EHPGD
SCHEMBL3310675 0.78 KMT2A (0.61) KMT2AMEN1NPC1KDM4EHPGD
SCHEMBL10492956 0.76 KMT2A (0.58) KMT2AMEN1NPC1KDM4EHPGD
SCHEMBL8346552 0.76 HPGD (0.50) KMT2AMEN1NPC1KDM4EHPGD
SCHEMBL208880 0.74 KMT2A (0.56) KMT2AMEN1NPC1KDM4EHPGD
SCHEMBL6051363 0.74 TSHR (0.45) HPGDALDH1A1SMN1; SMN2TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103951631-B A kind of synthetic method of benzoxazole derivative 重庆大学 2017-01-04 CN claimed
CN-103951631-A Synthetic method of benzoxazole derivative UNIV CHONGQING 2014-07-30 CN claimed
EP-1363923-B1 RHODIUM AND IRIDIUM COMPLEXES MERCK PATENT GMBH (DE) 2009-04-01 EP claimed
US-7125998-B2 Rhodium and iridium complexes MERCK PATENT GMBH (DE) 2006-10-24 US claimed
EP-1562964-B1 PALLADIUM AND PLATINUM COMPLEXES MERCK PATENT GMBH (DE) 2006-07-19 EP claimed
US-20040138455-A1 Rhodium and iridium complexes MERCK PATENT GMBH (DE) 2004-07-15 US claimed
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-20230403927-A1 AROMATIC COMPOUNDS UDC IRELAND LTD (IE) 2023-12-14 US disclosed
US-11800787-B2 Metal complexes UDC IRELAND LIMITED (IE) 2023-10-24 US disclosed
US-20230192738-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-06-22 US disclosed
US-20230056324-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
US-11390774-B2 Curable coating compositions containing poly activated methylene resins and polyisocyanates PPG INDUSTRIES OHIO, INC. (US) 2022-07-19 US disclosed
US-20220209141-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2022-06-30 US disclosed
US-20070034863-A1 fac-tris[7,7-difluoro-7H-dibenzo[de,h]quinoline-C2,N]iridium(III) (Ir1)A: 7,7-Difluorodibenzo[de,h]quinoline; use in organic electronic devices such as electroluminescent elements, and to their use in displays based thereon UDC IRELAND LIMITED (IE) 2007-02-15 US disclosed
US-7125998-B2 Rhodium and iridium complexes MERCK PATENT GMBH (DE) 2006-10-24 US disclosed
US-20060071206-A1 Palladium and platinum complexes UDC IRELAND LIMITED (IE) 2006-04-06 US disclosed
US-20050253135-A1 Rhodium and iridium complexes MERCK PATENT GMBH (DE) 2005-11-17 US disclosed
US-20040138455-A1 Rhodium and iridium complexes MERCK PATENT GMBH (DE) 2004-07-15 US disclosed
US-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 US disclosed
US-4039579-A 2-[1-Imino-2-(methylsulfinyl)ethyl]phenols and 3-[1-imino-2-(methylsulfinyl)ethyl]-2-naphthalenols WARNER-LAMBERT COMPANY (US) 1977-08-02 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 (11 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-20040138455-A1 Rhodium and iridium complexes RPIA, MPI, INPP5B KMT2A 4167/4885MEN1 1116/4885NPC1 4448/4885
US-20050253135-A1 Rhodium and iridium complexes RPIA, SIRT5, RAB35 KMT2A 4095/4885MEN1 470/4885NPC1 3257/4885
US-20230056324-A1 METAL COMPLEXES MCU, IMMT, SOD1 KMT2A 4289/4885MEN1 1520/4885NPC1 2781/4885
US-20230403927-A1 AROMATIC COMPOUNDS TYR, CTCF, MITF KMT2A 1055/4885MEN1 2141/4885NPC1 3191/4885
US-20220209141-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 KMT2A 2823/4885MEN1 952/4885NPC1 3573/4885
US-11800787-B2 Metal complexes AP1M1, SOD1, AP3M1 KMT2A 2648/4885MEN1 766/4885NPC1 3855/4885
US-20230192738-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OPRM1, OPRD1, OXER1 KMT2A 3330/4885MEN1 1982/4885NPC1 2178/4885
US-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 KMT2A 3439/4885MEN1 3828/4885NPC1 4384/4885
US-20060071206-A1 Palladium and platinum complexes PMS2, PDCD1, PDCD1LG2 KMT2A 2087/4885MEN1 220/4885NPC1 4739/4885
US-11917901-B2 Metal complexes MCOLN2, MCOLN1, AP1M1 KMT2A 1876/4885MEN1 63/4885NPC1 1948/4885
US-20070034863-A1 fac-tris[7,7-difluoro-7H-dibenzo[de,h]quinoline-C2,N]iridium(III) (Ir1)A: 7,7-Difluorodibenzo[de,h]quinoline; use in organic electronic devices such as electroluminescent elements, and to their use in displays based thereon NISCH, CISD1, AFF1 KMT2A 3293/4885MEN1 1841/4885NPC1 3776/4885

“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.