SCHEMBL19625352

SCHEMBL19625352

Cc1ccc(-c2cnc(C(C)(C)C)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.39
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HSD17B1 P14061 3/20 0.36
HSD17B2 P37059 3/20 0.36
SLC6A3 Q01959 3/20 0.36
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
TSHR P16473 1/20 0.35
KMO O15229 1/20 0.35
LMNA P02545 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL2600055 0.84 ABL1 (0.42) KDRHDAC1HDAC6SLC6A3ALDH1A1
SCHEMBL26014402 0.84 ABL1 (0.42) HDAC1HDAC6HSD17B1HSD17B2SLC6A3
SCHEMBL10219845 0.83 KDR (0.47) KDRHDAC6HSD17B1HSD17B2SLC6A3
SCHEMBL889119 0.82 RAB9A (0.40) HDAC1HDAC6HSD17B1HSD17B2SLC6A3
SCHEMBL18760851 0.80 SLC6A3 (0.40) SLC6A3
SCHEMBL19625368 0.78 NPC1 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL19625372 0.77 ALDH1A1 (0.37) SLC6A3ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14435919 0.76 AOC3 (0.47) KDRHDAC1HDAC6ALDH1A1SMN1; SMN2
SCHEMBL23603567 0.76 NPC1 (0.44) KDRHDAC1HDAC6HSD17B1HSD17B2
SCHEMBL15090468 0.75 HSD17B1 (0.50) KDRHDAC1HDAC6HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11090325-B2 Compositions for treating ebola virus infection REDHILL BIOPHARMA LTD. (IL) 2021-08-17 US disclosed
US-20200155585-A1 COMPOSITIONS FOR TREATING EBOLA VIRUS INFECTION REDHILL BIOPHARMA LTD (IL) 2020-05-21 US disclosed
US-10472360-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-11-12 US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 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 (4 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-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 KDR 940/4885HDAC1 3629/4885HDAC6 4738/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 KDR 940/4885HDAC1 3629/4885HDAC6 4738/4885
US-20200155585-A1 COMPOSITIONS FOR TREATING EBOLA VIRUS INFECTION NEFM, EIF2AK2, IRF3 KDR 3402/4885HDAC1 1578/4885HDAC6 492/4885
US-11090325-B2 Compositions for treating ebola virus infection NEFM, EIF2AK2, IRF3 KDR 3402/4885HDAC1 1578/4885HDAC6 492/4885

“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.