SCHEMBL12424191

SCHEMBL12424191

CNC(=O)Cc1ccc(C(C)(C)C)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
TP53 P04637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
DEGS1 O15121 1/20 0.39
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
TRPV1 Q8NER1 3/20 0.38
CACNA1H O95180 2/20 0.38
CACNA1I Q9P0X4 2/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1C Q13936 1/20 0.38
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 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
SCHEMBL2739662 0.81 LMNA (0.47) NPC1TP53DEGS1TRPV1CACNA1I
SCHEMBL3662503 0.77 GLS (0.45) NPC1RAB9AMAPTALDH1A1
SCHEMBL16587770 0.75 LMNA (0.41) EPHX2NR1H4TRPV1RAB9AMAPT
SCHEMBL26036870 0.75 LMNA (0.33) NPC1DEGS1CACNA1HCACNA1ICACNA1G
SCHEMBL23881399 0.74 CXCR2 (0.41) TRPV1HDAC1HDAC8HDAC6HDAC5
SCHEMBL12993371 0.74 ESRRB (0.58) EPHX2NR1H4CACNA1ISMN1; SMN2MAPT
SCHEMBL3576786 0.74 P2RX7 (0.50) EPHX2NR1H4ALDH1A1
SCHEMBL2739659 0.73 LMNA (0.38) NPC1TP53DEGS1EPHX2RAB9A
SCHEMBL16472505 0.72 MAPT (0.47) NPC1TRPV1RAB9ASMN1; SMN2MAPT
SCHEMBL9906415 0.71 EPHX2 (0.44) NPC1TP53CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481544-B2 Antibacterial compositions BIOTA EUROPE LIMITED (GB) 2013-07-09 US disclosed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 US disclosed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 US disclosed
US-7977340-B2 Antibacterial compositions PROLYSIS LTD. (GB) 2011-07-12 US disclosed
US-7977340-B2 Antibacterial compositions PROLYSIS LTD. (GB) 2011-07-12 US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 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 (2 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-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 NPC1 3471/4885TP53 4798/4885CYP1A2 676/4885
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES NEK6, NEK1, TXK NPC1 2672/4885TP53 4507/4885CYP1A2 1474/4885

“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.