SCHEMBL7303572

SCHEMBL7303572

CC(C)(C)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 1.00
RAB9A P51151 2/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
HDAC3 O15379 2/20 0.73
HDAC6 Q9UBN7 2/20 0.73
HDAC11 Q96DB2 1/20 0.73
HDAC8 Q9BY41 1/20 0.73
POLB P06746 1/20 0.72
TRPV1 Q8NER1 5/20 0.71
ENPP3 O14638 1/20 0.69
ENPP1 P22413 1/20 0.69
NR1H4 Q96RI1 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60

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
SCHEMBL7303163 0.91 HDAC3 (0.86) NPC1RAB9ASMN1; SMN2HDAC3HDAC6
SCHEMBL28330745 0.89 SMN1; SMN2 (0.78) NPC1RAB9ASMN1; SMN2HDAC3HDAC6
SCHEMBL611657 0.87 NPC1 (0.76) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL10939703 0.87 NPC1 (0.76) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL9767723 0.87 NPC1 (0.76) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL5226687 0.86 NPC1 (0.74) NPC1RAB9ASMN1; SMN2NR1H4
SCHEMBL13945764 0.85 NPC1 (0.73) NPC1RAB9ASMN1; SMN2HDAC3HDAC6
SCHEMBL1291198 0.85 RAB9A (0.73) NPC1RAB9ASMN1; SMN2HDAC3HDAC6
SCHEMBL4627548 0.85 NPC1 (0.73) NPC1RAB9ASMN1; SMN2HDAC3HDAC6
SCHEMBL7296645 0.84 HDAC3 (0.75) NPC1RAB9ASMN1; SMN2HDAC3HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544092-B2 Malononitrile oxime ether compound and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2020-01-28 US disclosed
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 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 (1 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-10544092-B2 Malononitrile oxime ether compound and use thereof ME1, MAL2, ME3 NPC1 4630/4885RAB9A 4007/4885SMN1; SMN2 1799/4885

“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.