SCHEMBL20006065

SCHEMBL20006065

CCc1cc(/C=C2\SC(=S)NC2=O)cc(C)c1O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.80
MEN1 O00255 1/20 0.80
ALDH1A1 P00352 1/20 0.80
LMNA P02545 1/20 0.80
POLB P06746 1/20 0.80
GAA P10253 1/20 0.80
MAPT P10636 1/20 0.80
KMT2A Q03164 1/20 0.80
NAT1 P18440 5/20 0.64
CISD1 Q9NZ45 3/20 0.60
PTGS2 P35354 1/20 0.60
MYC P01106 2/20 0.56
MAX P61244 2/20 0.56
RAB9A P51151 1/20 0.56
PIK3CG P48736 1/20 0.55
DNM1 Q05193 1/20 0.55
PIM1 P11309 2/20 0.53
DYRK1A Q13627 2/20 0.53
PIM3 Q86V86 2/20 0.53
PIM2 Q9P1W9 2/20 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
SCHEMBL8310306 0.89 MEN1 (1.00) NPC1MEN1ALDH1A1LMNAPOLB
SCHEMBL8308378 0.89 MEN1 (1.00) NPC1MEN1ALDH1A1LMNAPOLB
SCHEMBL18102959 0.88 MEN1 (0.73) NPC1MEN1ALDH1A1LMNAPOLB
SCHEMBL8535412 0.81 PTGS2 (0.85) NPC1MEN1ALDH1A1LMNAPOLB
SCHEMBL17464816 0.81 CISD1 (0.85) NPC1MEN1ALDH1A1LMNAPOLB
SCHEMBL8535410 0.81 PTGS2 (0.85) NPC1MEN1ALDH1A1LMNAPOLB
SCHEMBL29376987 0.81 MYC (0.73) NPC1MEN1ALDH1A1LMNAPOLB
SCHEMBL22492974 0.81 MYC (0.73) NPC1MEN1ALDH1A1LMNAPOLB
SCHEMBL22492973 0.81 MYC (0.73) NPC1MEN1ALDH1A1LMNAPOLB
SCHEMBL8536887 0.79 NPC1 (0.61) NPC1MEN1ALDH1A1LMNAPOLB

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 2 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

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 NPC1 1617/4885MEN1 846/4885ALDH1A1 2177/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 NPC1 1617/4885MEN1 846/4885ALDH1A1 2177/4885

“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.