SCHEMBL18103002

SCHEMBL18103002

O=C1NC(=S)S/C1=C\c1cccc(-c2ccc(O)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 5/20 0.74
CISD1 Q9NZ45 3/20 0.62
MYC P01106 1/20 0.60
MAX P61244 1/20 0.60
CA2 P00918 1/20 0.59
EPHX1 P07099 1/20 0.59
MMP13 P45452 2/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
MMP3 P08254 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PIM1 P11309 1/20 0.55
RAB9A P51151 1/20 0.55
ADAMTS5 Q9UNA0 1/20 0.55
AKR1B1 P15121 1/20 0.54
PTP4A3 O75365 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL18103005 0.91 NAT1 (0.85) NAT1CISD1MYCMAXCA2
SCHEMBL19991267 0.89 NAT1 (0.76) NAT1CISD1MYCMAXCA2
SCHEMBL18102890 0.89 NAT1 (0.76) NAT1CISD1MYCMAXCA2
SCHEMBL18102962 0.89 NAT1 (0.76) NAT1CISD1MYCMAXCA2
SCHEMBL30250053 0.87 NAT1 (0.74) NAT1CISD1MYCMAXCA2
SCHEMBL18103006 0.87 NAT1 (0.74) NAT1CISD1MYCMAXCA2
SCHEMBL18103038 0.86 NAT1 (0.91) NAT1CISD1MYCMAXCA2
SCHEMBL19991146 0.86 NAT1 (0.91) NAT1CISD1MYCMAXCA2
SCHEMBL18102889 0.86 NAT1 (0.91) NAT1CISD1MYCMAXCA2
SCHEMBL8310946 0.85 NAT1 (1.00) NAT1CISD1MYCMAXCA2

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-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
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 867/4885CISD1 511/4885MYC 39/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 NAT1 867/4885CISD1 511/4885MYC 39/4885

“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.