SCHEMBL648088

SCHEMBL648088

C=Cc1ccc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.36
DNM1 Q05193 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KRAS P01116 2/20 0.33
P2RX3 P56373 1/20 0.33
BAX Q07812 1/20 0.32
TP53 P04637 2/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
LIG1 P18858 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
RAD52 P43351 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL22237642 0.92 ALDH1A1 (0.32) ALDH1A1MAPTDNM1SMN1; SMN2KRAS
SCHEMBL21689703 0.92 KDM4E (0.44) ALDH1A1MAPTDNM1KRASTP53
SCHEMBL22269676 0.92 ALDH1A1 (0.32) ALDH1A1MAPTDNM1SMN1; SMN2KRAS
SCHEMBL30645503 0.92 KDM4E (0.44) ALDH1A1MAPTDNM1KRASTP53
SCHEMBL30195085 0.92 ALDH1A1 (0.32) ALDH1A1MAPTDNM1SMN1; SMN2KRAS
SCHEMBL23358443 0.86 MAPKAPK2 (0.33) ALDH1A1KDM4E
SCHEMBL30194724 0.86 MAPKAPK2 (0.33) ALDH1A1KDM4E
SCHEMBL13701303 0.86 ALDH1A1 (0.38) ALDH1A1L3MBTL1KDM4EATMTSHR
SCHEMBL18921870 0.85 L3MBTL1 (0.38) ALDH1A1MAPTDNM1KRASMAPK1
SCHEMBL30194709 0.85 L3MBTL1 (0.38) ALDH1A1MAPTDNM1KRASMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628962-B1 Iodopyrazolyl carboxanilides BAYER IP GMBH (DE) 2014-10-01 EP claimed
US-9065062-B2 Cross-linkable iridium complexes and organic light-emitting devices using the same UNIVERSAL DISPLAY CORPORATION (US) 2015-06-23 US disclosed
US-9065062-B2 Cross-linkable iridium complexes and organic light-emitting devices using the same UNIVERSAL DISPLAY CORPORATION (US) 2015-06-23 US disclosed
US-9065062-B2 Cross-linkable iridium complexes and organic light-emitting devices using the same UNIVERSAL DISPLAY CORPORATION (US) 2015-06-23 US disclosed
US-8580401-B2 Curable material and its application ETERNAL CHEMICAL CO., LTD. (TW) 2013-11-12 US disclosed
US-8580401-B2 Curable material and its application ETERNAL CHEMICAL CO., LTD. (TW) 2013-11-12 US disclosed
US-20120193611-A1 CURABLE MATERIAL AND ITS APPLICATION ETERNAL MATERIALS CO., LTD. (TW) 2012-08-02 US disclosed
US-20120193611-A1 CURABLE MATERIAL AND ITS APPLICATION ETERNAL MATERIALS CO., LTD. (TW) 2012-08-02 US disclosed
US-20120107989-A1 CROSS-LINKABLE IRIDIUM COMPLEXES AND ORGANIC LIGHT-EMITTING DEVICES USING THE SAME UNIVERSAL DISPLAY CORPORATION 2012-05-03 US disclosed
US-20120107989-A1 CROSS-LINKABLE IRIDIUM COMPLEXES AND ORGANIC LIGHT-EMITTING DEVICES USING THE SAME UNIVERSAL DISPLAY CORPORATION 2012-05-03 US disclosed
US-8119255-B2 First and second electrode; a first organic layer between the electrodes; the first organic layer is a non-electroluminescent, cross-linked metal complex; and a second organic layer is an emissive electroluminescent organic material UNIVERSAL DISPLAY CORPORATION (US) 2012-02-21 US disclosed
US-20110124698-A1 Iodopyrazolyl Carboxanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-05-26 US disclosed
US-7906656-B2 Iodopyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2011-03-15 US disclosed
US-20100167931-A1 HETEROCYCLICALLY SUBSTITUTED HETEROCYCLYLCARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-07-01 US disclosed
US-20100152266-A1 Iodopyrazolyl Carboxanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-06-17 US disclosed
US-7687531-B2 N-(3',4'dichloro-5-fluoro-1,1'-biphenyl-2-yl)-3-iodo-1-methyl-1H-pyrazole4-carboxamide; fungicides; molds/fungi/; plants/organisms/; controlling microorganisms; microbiocides; dermatophytes; Candida; Epidermophyton; Aspergillus; Trichophyton BAYER CROPSCIENCE AG (DE) 2010-03-30 US disclosed
US-20080220265-A1 Cross-linkable Iridium Complexes and Organic Light-Emitting Devices Using the Same UNIVERSAL DISPLAY CORPORATION (US) 2008-09-11 US disclosed
US-20080220265-A1 Cross-linkable Iridium Complexes and Organic Light-Emitting Devices Using the Same UNIVERSAL DISPLAY CORPORATION (US) 2008-09-11 US disclosed
WO-2008073440-A2 CROSS-LINKABLE IRIDIUM COMPLEXES AND ORGANIC LIGHT-EMITTING DEVICES USING THE SAME UNIVERSAL DISPLAY CORPORATION (US) 2008-06-19 WO disclosed
US-20070066673-A1 Iodopyrazolyl carboxanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-03-22 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 (6 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-20110124698-A1 Iodopyrazolyl Carboxanilides IDH2, ABL1, IDH1 ALDH1A1 804/4885MAPT 4204/4885DNM1 2566/4885
US-20100167931-A1 HETEROCYCLICALLY SUBSTITUTED HETEROCYCLYLCARBOXYLIC ACID DERIVATIVES HPD, HAAO, HCAR2 ALDH1A1 475/4885MAPT 3950/4885DNM1 3009/4885
US-20080220265-A1 Cross-linkable Iridium Complexes and Organic Light-Emitting Devices Using the Same MTCL3, LIG4, L1CAM ALDH1A1 681/4885MAPT 374/4885DNM1 1436/4885
US-20120107989-A1 CROSS-LINKABLE IRIDIUM COMPLEXES AND ORGANIC LIGHT-EMITTING DEVICES USING THE SAME MTCL3, LIG4, L1CAM ALDH1A1 681/4885MAPT 374/4885DNM1 1436/4885
US-20070066673-A1 Iodopyrazolyl carboxanilides Q6ZSR9, C1S, MRPL21 ALDH1A1 1194/4885MAPT 2769/4885DNM1 2705/4885
US-20100152266-A1 Iodopyrazolyl Carboxanilides IDH2, ABL1, IDH1 ALDH1A1 804/4885MAPT 4204/4885DNM1 2566/4885

“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.