SCHEMBL18102941

SCHEMBL18102941

O=C1NC(=S)S/C1=C\c1cc(O)ccc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAT1 P18440 4/20 0.61
▸ POLB P06746 3/20 0.58
▸ MAPT P10636 3/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ PTP4A3 O75365 5/20 0.56
▸ CRHBP P24387 2/20 0.56
▸ CRHR2 Q13324 2/20 0.56
▸ PLA2G1B P04054 1/20 0.56
▸ ATG4B Q9Y4P1 1/20 0.56
▸ MEN1 O00255 2/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ HSP90AA1 P07900 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ MYC P01106 1/20 0.53

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
SCHEMBL13499577 0.86 NAT1 (0.64) NAT1POLBMAPTALDH1A1PTP4A3
SCHEMBL18102943 0.86 PTP4A3 (0.75) NAT1POLBMAPTALDH1A1MAPK1
SCHEMBL13499558 0.83 PTP4A3 (0.71) NAT1PTP4A3CRHBPCRHR2MYC
SCHEMBL15421394 0.83 POLB (0.74) NAT1POLBMAPTALDH1A1MAPK1
SCHEMBL15421391 0.83 POLB (0.74) NAT1POLBMAPTALDH1A1MAPK1
SCHEMBL15421393 0.83 POLB (0.74) NAT1POLBMAPTALDH1A1MAPK1
SCHEMBL13499560 0.82 PTP4A3 (0.65) NAT1POLBMAPTALDH1A1PTP4A3
SCHEMBL13499580 0.81 CISD1 (0.63) NAT1PTP4A3CRHBPCRHR2MYC
SCHEMBL18095820 0.81 NAT1 (0.66) NAT1PTP4A3CRHBPCRHR2PLA2G1B
SCHEMBL18103029 0.81 NAT1 (0.66) NAT1PTP4A3CRHBPCRHR2PLA2G1B

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 867/4885POLB 1009/4885MAPT 3938/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 NAT1 867/4885POLB 1009/4885MAPT 3938/4885

“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.

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