SCHEMBL4406535

SCHEMBL4406535

NC(=O)CNC(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
TP53 P04637 2/20 0.59
TSHR P16473 1/20 0.59
EPHX2 P34913 1/20 0.59
CDK9 P50750 1/20 0.59
CLK4 Q9HAZ1 1/20 0.59
KDM4E B2RXH2 1/20 0.53
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
HTT P42858 2/20 0.51
MAOB P27338 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
MAOA P21397 1/20 0.50

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
SCHEMBL27655204 0.85 CA12 (0.57) EPHX1SMN1; SMN2NPC1RAB9AHPGD
Phenylhydantoic Acid SCHEMBL333005 0.84 ABAT (0.67) EPHX1SMN1; SMN2TP53TSHREPHX2
SCHEMBL15502277 0.82 EPHX1 (0.67) EPHX1SMN1; SMN2TP53TSHREPHX2
SCHEMBL6873118 0.81 EPHX1 (0.58) EPHX1SMN1; SMN2TP53TSHREPHX2
SCHEMBL4397986 0.81 ABAT (0.74) EPHX1SMN1; SMN2TP53TSHRKDM4E
SCHEMBL5801228 0.81 CNR1 (0.58) SMN1; SMN2TSHRNPC1RAB9AMEN1
SCHEMBL4589723 0.81 EPHX1 (0.59) EPHX1SMN1; SMN2TP53TSHREPHX2
SCHEMBL27263594 0.80 EPHX1 (0.64) EPHX1SMN1; SMN2TP53TSHREPHX2
SCHEMBL11051077 0.79 EPHX1 (0.70) EPHX1SMN1; SMN2TP53TSHREPHX2
SCHEMBL2705292 0.79 EPHX1 (0.70) EPHX1SMN1; SMN2TP53TSHREPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP claimed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO claimed
WO-2022145400-A1 COLOR DEVELOPER, HEAT-SENSITIVE RECORDING MATERIAL, AND COATING MATERIAL FOR HEAT-SENSITIVE RECORDING LAYERS 三光株式会社 2022-07-07 WO disclosed
EP-3342599-B1 HEAT-SENSITIVE RECORDING MATERIAL SANKO CO LTD (JP) 2021-06-16 EP disclosed
US-10086634-B2 Heat-sensitive recording material SANKO CO., LTD. (JP) 2018-10-02 US disclosed
US-20180194151-A1 HEAT-SENSITIVE RECORDING MATERIAL SANKO CO., LTD. (JP) 2018-07-12 US disclosed
EP-3342599-A1 HEAT-SENSITIVE RECORDING MATERIAL Sanko Co., Ltd. (JP) 2018-07-04 EP disclosed
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP disclosed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US disclosed
EP-1971600-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK Holdings Co., Ltd. (KR) 2008-09-24 EP disclosed
WO-2007078113-A1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2007-07-12 WO disclosed
CN-1938029-A Chemokine inhibiting piperazine derivatives and their use to treat multiple myeloma UNIV PITTSBURGH (DE) 2007-03-28 CN disclosed
US-7160902-B2 Amide derivatives and methods of their use ADOLOR CORPORATION (US) 2007-01-09 US disclosed
CN-1838957-A Chemokine inhibiting piperazine derivatives and their use to treat myocarditis SCHERING AKTIEGESELLSCHAFT (DE) 2006-09-27 CN disclosed
WO-2005049564-A1 AMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-06-02 WO disclosed
US-20050107355-A1 Amide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-05-19 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-20180194151-A1 HEAT-SENSITIVE RECORDING MATERIAL ASIC1, SCN1A, NPR1 EPHX1 1665/4885SMN1; SMN2 871/4885TP53 3780/4885
US-10086634-B2 Heat-sensitive recording material ASIC1, SCN1A, NPR1 EPHX1 1709/4885SMN1; SMN2 873/4885TP53 3543/4885
US-20050107355-A1 Amide derivatives and methods of their use HRH2, SLC10A2, ALPI EPHX1 505/4885SMN1; SMN2 2433/4885TP53 4158/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 EPHX1 1628/4885SMN1; SMN2 3980/4885TP53 2830/4885

“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.