SCHEMBL20005794

SCHEMBL20005794

Cc1cccc(OCCSc2ccc(Cl)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAPK1 P28482 3/20 0.55
LMNA P02545 2/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 5/20 0.53
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 2/20 0.53
HPGD P15428 1/20 0.53
AR P10275 3/20 0.51
NPSR1 Q6W5P4 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL10911447 0.86 MEN1 (0.47) POLBTDP1MAPK1LMNAHTT
SCHEMBL5825769 0.85 POLB (0.57) POLBTDP1MAPK1LMNATSHR
SCHEMBL5289703 0.82 DRD2 (0.58) POLBTDP1MAPK1HTTMAPT
SCHEMBL20005618 0.81 DRD2 (0.57) LMNATSHRHTTMAPTSMN1; SMN2
SCHEMBL9808166 0.80 DRD2 (0.69) TDP1MAPK1LMNAHTTMAPT
SCHEMBL25689492 0.78 GPR84 (0.52) TDP1LMNAHTTMAPTHPGD
SCHEMBL5825228 0.78 LMNA (0.52) POLBTDP1MAPK1LMNATSHR
SCHEMBL10346033 0.78 SMN1; SMN2 (0.50) POLBMAPK1LMNATSHRHTT
SCHEMBL21086834 0.77 TDP1 (0.57) POLBTDP1MAPK1LMNATSHR
SCHEMBL5824691 0.77 MAPK1 (0.49) POLBTDP1MAPK1LMNATSHR

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 POLB 1009/4885TDP1 2209/4885MAPK1 2158/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 POLB 1009/4885TDP1 2209/4885MAPK1 2158/4885

“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.