SCHEMBL4258577

SCHEMBL4258577

C/C=C/c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
HSD17B10 Q99714 6/20 0.56
ALOX12 P18054 5/20 0.56
TSHR P16473 5/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
ALOX15 P16050 3/20 0.56
MAPK1 P28482 3/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56
PTGS2 P35354 1/20 0.56
HTR2B P41595 1/20 0.56
HPGD P15428 3/20 0.52
CYP3A4 P08684 6/20 0.47
LMNA P02545 3/20 0.47
THRB P10828 2/20 0.47
RECQL P46063 1/20 0.47
ATM Q13315 1/20 0.47
MAPT P10636 6/20 0.46
HTT P42858 2/20 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
SCHEMBL4258580 1.00 ALDH1A1 (0.56) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL15138717 0.91 TSHR (0.50) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL15138252 0.90 HDAC2 (0.44) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL3374038 0.86 ALDH1A1 (0.68) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL3372676 0.86 ALDH1A1 (0.68) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL465276 0.84 ALDH1A1 (0.65) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL465277 0.84 ALDH1A1 (0.65) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL14255742 0.82 ALDH1A1 (0.62) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL23975313 0.82 ALDH1A1 (0.56) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1
SCHEMBL10042620 0.81 ALDH1A1 (0.60) ALDH1A1HSD17B10ALOX12TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739073-B2 Aryl-n-aryl derivatives for treating a RNA virus infection ABIVAX (FR) 2023-08-29 US disclosed
US-10573838-B2 Organic electric element comprising compound for organic electric element and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2020-02-25 US disclosed
US-10249825-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2019-04-02 US disclosed
US-20180205032-A1 ORGANIC ELECTRIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRIC ELEMENT AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-07-19 US disclosed
US-20180205032-A1 ORGANIC ELECTRIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRIC ELEMENT AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-07-19 US disclosed
US-10026905-B2 Compound, organic electric element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-07-17 US disclosed
US-10026905-B2 Compound, organic electric element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-07-17 US disclosed
WO-2017010726-A1 ORGANIC ELECTRONIC ELEMENT USING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2017-01-19 WO disclosed
US-9515269-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2016-12-06 US disclosed
US-9515269-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2016-12-06 US disclosed
US-20150303379-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2015-10-22 US disclosed
WO-2015115756-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2015-08-06 WO disclosed
US-20140374722-A1 COMPOUND, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2014-12-25 US disclosed
US-20140374722-A1 COMPOUND, ORGANIC ELECTRIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2014-12-25 US disclosed
US-8841327-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-09-23 US disclosed
WO-2014077558-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE FOR SAME 덕산하이메탈(주) (KR) 2014-05-22 WO disclosed
WO-2013109027-A1 COMPOUND, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREOF 덕산하이메탈(주) (KR) 2013-07-25 WO disclosed
EP-1629021-A4 MODIFIED NATURAL RUBBER OR MODIFIED NATURAL RUBBER LATEX, AND RUBBER COMPOSITION AND PNEUMATIC TIRE BRIDGESTONE CORP (JP) 2009-03-25 EP disclosed
EP-1629021-A1 MODIFIED NATURAL RUBBER OR MODIFIED NATURAL RUBBER LATEX, AND RUBBER COMPOSITION AND PNEUMATIC TIRE Bridgestone Corporation (JP) 2006-03-01 EP disclosed
WO-2004106397-A1 MODIFIED NATURAL RUBBER OR MODIFIED NATURAL RUBBER LATEX, AND RUBBER COMPOSITION AND PNEUMATIC TIRE BRIDGESTONE CORPORATION (JP) 2004-12-09 WO 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 (4 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-11739073-B2 Aryl-n-aryl derivatives for treating a RNA virus infection HAVCR2, CBR3, C1R ALDH1A1 2537/4885HSD17B10 3367/4885ALOX12 4069/4885
US-10026905-B2 Compound, organic electric element using the same, and an electronic device thereof ORAI2, TMEM109, EML4 ALDH1A1 871/4885HSD17B10 2788/4885ALOX12 340/4885
US-10249825-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof ORAI2, ESR1, OR51E2 ALDH1A1 1706/4885HSD17B10 3570/4885ALOX12 174/4885
US-20150303379-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF ORAI2, ESR1, OR10J3 ALDH1A1 1688/4885HSD17B10 3483/4885ALOX12 164/4885

“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.