SCHEMBL18102890

SCHEMBL18102890

O=C1NC(=S)S/C1=C\c1cccc(-c2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 5/20 0.76
CA2 P00918 1/20 0.75
EPHX1 P07099 1/20 0.75
MMP13 P45452 3/20 0.70
MMP3 P08254 2/20 0.70
CISD1 Q9NZ45 2/20 0.68
GSK3B P49841 1/20 0.65
MEN1 O00255 1/20 0.64
PIM1 P11309 1/20 0.64
RAB9A P51151 1/20 0.64
KMT2A Q03164 1/20 0.64
ADAMTS5 Q9UNA0 2/20 0.62
CRHBP P24387 1/20 0.62
CRHR2 Q13324 1/20 0.62
MYC P01106 1/20 0.58
MAX P61244 1/20 0.58

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
SCHEMBL19991267 1.00 NAT1 (0.76) NAT1CA2EPHX1MMP13MMP3
SCHEMBL18102962 1.00 NAT1 (0.76) NAT1CA2EPHX1MMP13MMP3
SCHEMBL30250053 0.89 NAT1 (0.74) NAT1CA2EPHX1MMP13MMP3
SCHEMBL18103002 0.89 NAT1 (0.74) NAT1CA2EPHX1MMP13MMP3
SCHEMBL18103005 0.88 NAT1 (0.85) NAT1CA2EPHX1MMP13MMP3
SCHEMBL1247510 0.87 NAT1 (1.00) NAT1CA2EPHX1MMP13MMP3
SCHEMBL10596480 0.87 NAT1 (1.00) NAT1CA2EPHX1MMP13MMP3
SCHEMBL1247509 0.87 NAT1 (1.00) NAT1CA2EPHX1MMP13MMP3
SCHEMBL4416451 0.86 NAT1 (1.00) NAT1CA2EPHX1MMP13MMP3
SCHEMBL1812224 0.86 NAT1 (1.00) NAT1CA2EPHX1MMP13MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same UNIVERSITY OF MIAMI (US) 2019-12-10 US disclosed
US-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same UNIVERSITY OF MIAMI (US) 2019-12-10 US disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 US disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 US disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 US disclosed
WO-2016154255-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME UNIVERSITY OF MIAMI (US) 2016-09-29 WO 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-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same NOTCH1, CBFB, HES1 NAT1 867/4885CA2 4417/4885EPHX1 3076/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 NAT1 867/4885CA2 4417/4885EPHX1 3076/4885

“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.