SCHEMBL2619262

SCHEMBL2619262

Cc1nc(/N=N/C(=N\Nc2ccccc2)c2ccccc2)sc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
TDP1 Q9NUW8 6/20 0.50
MAPT P10636 6/20 0.50
HTT P42858 5/20 0.50
GAA P10253 5/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPK1 P28482 3/20 0.50
HSP90AA1 P07900 1/20 0.50
NPC1 O15118 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
LMNA P02545 1/20 0.43
PKM P14618 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
PTBP1 P26599 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
SCHEMBL745118 1.00 RAB9A (0.50) RAB9ATDP1MAPTHTTGAA
SCHEMBL8924537 1.00 RAB9A (0.50) RAB9ATDP1MAPTHTTGAA
SCHEMBL11332706 0.83 MAPT (0.52) RAB9ATDP1MAPTHTTGAA
SCHEMBL11327606 0.83 MAPT (0.52) RAB9ATDP1MAPTHTTGAA
SCHEMBL745116 0.77 RAB9A (0.49) RAB9ATDP1MAPTHTTGAA
SCHEMBL745117 0.77 RAB9A (0.49) RAB9ATDP1MAPTHTTGAA
SCHEMBL21838458 0.77 RAB9A (0.49) RAB9ATDP1MAPTHTTGAA
SCHEMBL21838460 0.77 RAB9A (0.49) RAB9ATDP1MAPTHTTGAA
SCHEMBL30220799 0.77 RAB9A (0.49) RAB9ATDP1MAPTHTTGAA
SCHEMBL15992321 0.74 KMT2A (0.37) RAB9ATDP1MAPTHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856230-B2 Enzyme inhibitors UNIVERSITY OF SUNDERLAND (GB) 2018-01-02 US disclosed
US-20170246130-A1 4-HYDROXYBENZOHYDARZIDE-A NEW CLASS OF ANGIOGENIC ENZYME THYMIDINE PHOSPHORYLASE INHIBITORS CHOUDHARY MUHAMMAD IQBAL (PK) 2017-08-31 US disclosed
US-9675734-B2 Medical balloon coated with therapeutic agent, carboxylic acid, and salt thereof INVATEC S.P.A. (IT) 2017-06-13 US disclosed
US-9675734-B2 Medical balloon coated with therapeutic agent, carboxylic acid, and salt thereof INVATEC S.P.A. (IT) 2017-06-13 US disclosed
US-20160058915-A1 Medical Balloon Coated With Therapeutic Agent, Carboxylic Acid, and Salt Thereof INVATEC S.P.A. (IT) 2016-03-03 US disclosed
US-20160058915-A1 Medical Balloon Coated With Therapeutic Agent, Carboxylic Acid, and Salt Thereof INVATEC S.P.A. (IT) 2016-03-03 US disclosed
US-20150322035-A1 Enzyme Inhibitors UNIVERSITY OF SUNDERLAND (GB) 2015-11-12 US disclosed
US-20150322035-A1 Enzyme Inhibitors UNIVERSITY OF SUNDERLAND (GB) 2015-11-12 US disclosed
US-20130230592-A1 NOVEL OMEGA-3 AND OMEGA-6 FATTY ACID COMPOSITIONS AND USES THEREOF TERREAUX CHRISTIAN (CH) 2013-09-05 US disclosed
US-20130230592-A1 NOVEL OMEGA-3 AND OMEGA-6 FATTY ACID COMPOSITIONS AND USES THEREOF TERREAUX CHRISTIAN (CH) 2013-09-05 US disclosed
US-20120101157-A1 4,5-Diamino-3-Halo-2-Hydroxybenzoic Acid Derivatives and Preparations Thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2012-04-26 US disclosed
US-20120101157-A1 4,5-Diamino-3-Halo-2-Hydroxybenzoic Acid Derivatives and Preparations Thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2012-04-26 US disclosed
EP-1925942-A1 Method for diagnosing diabetes mellitus Schiffer, Roswitha (DE) 2008-05-28 EP 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-20150322035-A1 Enzyme Inhibitors TXNRD3, TXNRD2, TXNRD1 RAB9A 4548/4885TDP1 323/4885MAPT 2655/4885
US-20130230592-A1 NOVEL OMEGA-3 AND OMEGA-6 FATTY ACID COMPOSITIONS AND USES THEREOF ALOX5, ELOVL6, VDR RAB9A 1995/4885TDP1 3214/4885MAPT 1002/4885
US-20120101157-A1 4,5-Diamino-3-Halo-2-Hydroxybenzoic Acid Derivatives and Preparations Thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH3, HRH2 RAB9A 768/4885TDP1 3831/4885MAPT 4509/4885
US-20170246130-A1 4-HYDROXYBENZOHYDARZIDE-A NEW CLASS OF ANGIOGENIC ENZYME THYMIDINE PHOSPHORYLASE INHIBITORS TYMP, DPYD, FLT4 RAB9A 4698/4885TDP1 120/4885MAPT 4301/4885

“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.