SCHEMBL12469484

SCHEMBL12469484

NC(=O)c1cccnc1I

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.56
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
NAPRT Q6XQN6 2/20 0.47
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
AHR P35869 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
BLM P54132 1/20 0.44
AGER Q15109 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL30863406 0.81 KDM4E (0.63) KDM4EALDH1A1NAPRTMAPTSMN1; SMN2
SCHEMBL2902900 0.81 KDM4E (0.63) KDM4EALDH1A1NAPRTMAPTSMN1; SMN2
SCHEMBL16414377 0.79 KDM4E (0.45) PARP1KDM4EALDH1A1NAPRTMAPT
SCHEMBL4186883 0.78 KDM4E (0.65) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL310265 0.77 NAPRT (0.70) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1369444 0.77 PARP1 (0.58) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30901792 0.77 NAPRT (0.70) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL164482 0.77 PARP1 (0.58) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL31513532 0.77 PARP1 (0.58) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL773980 0.77 PARP1 (0.58) PARP1KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2911513-A1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE Bayer Cropscience LP (US) 2015-09-02 EP claimed
WO-2014066877-A1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE BAYER CROPSCIENCE LP (US) 2014-05-01 WO claimed
CN-110267670-B Agent for ion-transcellular transporter in intestinal tract, chloride channel activator, preventive or therapeutic agent for kidney disease, or defecation promoter 表飞鸣制药株式会社 2023-08-15 CN disclosed
US-11504439-B2 Radioactive compound for diagnosis of malignant melanoma and use thereof INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2022-11-22 US disclosed
WO-2019068810-A1 USE OF COMPOSITIONS COMPRISING FLUOPYRAM FOR ENHANCING ANTIOXIDATIVE FITNESS OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2019-04-11 WO disclosed
WO-2018057588-A1 FURO[3,2-B]PYRIDINE COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-03-29 WO disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 US disclosed
WO-2016154075-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-09-29 WO disclosed
CN-104745693-A SOYBEAN EVENT SYHT0H2 AND COMPOSITIONS AND METHODS FOR DETECTION THEREOF SYNGENTA PARTICIPATIONS AG 2015-07-01 CN disclosed
EP-2736333-A1 SEED DRESSING FOR CONTROLLING PHYTOPATHOGENIC FUNGI Bayer Intellectual Property GmbH (DE) 2014-06-04 EP disclosed
CN-103597077-A Soybean event SYHT0H2 and compositions and methods for detection thereof SYNGENTA PARTICIPATIONS AG 2014-02-19 CN disclosed
EP-2624699-A1 FUNGICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A THIAZOLYLPIPERIDINE DERIVATIVE Bayer CropScience Aktiengesellschaft (DE) 2013-08-14 EP disclosed
WO-2013014227-A1 SEED DRESSING FOR CONTROLLING PHYTOPATHOGENIC FUNGI BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-31 WO disclosed
WO-2012045798-A1 FUNGICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A THIAZOLYLPIPERIDINE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2012-04-12 WO disclosed
CN-102232067-A Nicotinamide derivatives CRC FOR BIOMEDICAL IMAGING DEV LTD 2011-11-02 CN disclosed
US-7943643-B2 Aryl substituted pyridines and the use thereof PURDUE PHARMA L.P. (US) 2011-05-17 US disclosed
US-20100048626-A1 Aryl Substituted Pyridines and the Use Thereof PURDUE PHARMA L.P. 2010-02-25 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 (3 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-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 PARP1 11/4885KDM4E 4542/4885ALDH1A1 3037/4885
US-20100048626-A1 Aryl Substituted Pyridines and the Use Thereof CACNA1S, CACNA1E, CACNA1C PARP1 1966/4885KDM4E 1567/4885ALDH1A1 76/4885
US-11504439-B2 Radioactive compound for diagnosis of malignant melanoma and use thereof MITF, BRAF, MEN1 PARP1 3553/4885KDM4E 767/4885ALDH1A1 1207/4885

“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.