SCHEMBL26438869

SCHEMBL26438869

CC(C)c1nc2cc(F)c(F)cc2s1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.41
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SCN4A P35499 1/20 0.35
GAA P10253 2/20 0.34
MAPK1 P28482 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
ILK Q13418 2/20 0.33

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
SCHEMBL2707208 0.86 NPC1 (0.45) ACACBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20047521 0.83 ACACB (0.37) ACACBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL86109 0.78 GAA (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL12205823 0.78 NPC1 (0.38) ACACBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4788348 0.78 DYRK1A (0.49) ILK
SCHEMBL2609443 0.78 GFER (0.56) ALDH1A1MAPTPKMMAPK1
SCHEMBL2756559 0.77 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL13729643 0.77 GLP1R (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL24466885 0.76 HSD17B10 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL21422893 0.74 GAA (0.44) ACACBNPC1RAB9ASMN1; SMN2ALDH1A1

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-20230130602-A1 INHIBITORS OF C. DIFFICILE SPORE GERMINATION THE BOARDS OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2023-04-27 US disclosed
US-20230130602-A1 INHIBITORS OF C. DIFFICILE SPORE GERMINATION THE BOARDS OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2023-04-27 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 (1 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-20230130602-A1 INHIBITORS OF C. DIFFICILE SPORE GERMINATION CDC37, SI, DAD1 ACACB 762/4885NPC1 727/4885RAB9A 3093/4885

“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.