SCHEMBL2087130

SCHEMBL2087130

N#CN=C(Nc1ccccc1)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
P2RX7 Q99572 1/20 0.38
RAD51 Q06609 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 3/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
GFER P55789 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL4920373 1.00 KMT2A (0.43) KMT2AALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL12793870 1.00 KMT2A (0.43) KMT2AALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL16014631 0.91 DHODH (0.41) KMT2AALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL16014632 0.91 DHODH (0.41) KMT2AALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL23576281 0.89 KMT2A (0.43) KMT2AALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL5005525 0.89 KMT2A (0.55) KMT2AALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL4996691 0.89 KMT2A (0.44) KMT2AALDH1A1MAPTHTTPOLB
SCHEMBL5005524 0.89 KMT2A (0.55) KMT2AALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL21396889 0.89 KMT2A (0.55) KMT2AALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL14257545 0.89 FAAH (0.41) KMT2AALDH1A1SMN1; SMN2MAPTRAD51

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2024-06-25 US disclosed
EP-3810606-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2021-04-28 EP disclosed
CN-112566910-A Thiophene derivatives for the treatment of IgE induced diseases UCB生物制药有限责任公司 2021-03-26 CN disclosed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 US disclosed
US-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2011-03-03 US disclosed
EP-2252277-A2 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE Signum Biosciences, Inc. (US) 2010-11-24 EP disclosed
WO-2009102997-A2 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2009-08-20 WO disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed
US-20080064717-A1 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LABORATORIES 2008-03-13 US disclosed
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-10-28 US disclosed
WO-2004046120-A2 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-06-03 WO disclosed
US-5750545-A EXHIBIT EOSINOPHIL-INHIBITORY ACTION AND LYMPHOCYTE ACTIVATION-INHIBITORY ACTION; USEFUL FOR TREATMENT OF IMMUNE-RELATED DISEASES THE GREEN CROSS CORPORATION (JP) 1998-05-12 US disclosed
EP-0710654-A1 TRIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-08 EP disclosed
EP-0034421-B1 N-PHENYL-N'-CYANO-0-PHENYLISOUREAS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BECKMAN CORPORATION (US) 1983-04-27 EP disclosed
US-4321393-A Method for preparing 2-cyanamidobenzimidazoles or 2-cyanamidobenzoxazoles SMITHKLINE CORPORATION (US) 1982-03-23 US disclosed
EP-0034421-A2 N-phenyl-N'-cyano-0-phenylisoureas and process for their preparation SMITHKLINE BECKMAN CORPORATION (US) 1981-08-26 EP disclosed
US-4285878-A N-Phenyl-N'-cyano-O-phenylisoureas SMITHKLINE CORPORATION (US) 1981-08-25 US disclosed
US-4285878-A N-Phenyl-N'-cyano-O-phenylisoureas SMITHKLINE CORPORATION (US) 1981-08-25 US disclosed
US-4285878-A N-Phenyl-N'-cyano-O-phenylisoureas SMITHKLINE CORPORATION (US) 1981-08-25 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 (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-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE MPO, CYSLTR1, HNMT KMT2A 983/4885ALDH1A1 2137/4885SMN1; SMN2 4449/4885
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE TSLP, CYSLTR1, CYSLTR2 KMT2A 4104/4885ALDH1A1 233/4885SMN1; SMN2 4377/4885
US-20080064717-A1 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme DGAT1, DGAT2, DLAT KMT2A 832/4885ALDH1A1 336/4885SMN1; SMN2 4202/4885
US-20040214817-A1 Diaminotriazoles useful as inhibitors of protein kinases MAP3K20, MAP3K1, MAP3K5 KMT2A 912/4885ALDH1A1 3235/4885SMN1; SMN2 3129/4885

“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.