SCHEMBL25004754

SCHEMBL25004754

Cc1nc2cc([C@H]3C[C@@H]3C(C)C)ccc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HDAC4 P56524 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 2/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 2/20 0.40
KMT2A Q03164 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
POLB P06746 1/20 0.39
CHRNA7 P36544 1/20 0.38
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.36
OGA O60502 1/20 0.35
CHRM4 P08173 1/20 0.35

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
SCHEMBL25004973 0.89 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AHSD17B10ALDH1A1
SCHEMBL23992774 0.82 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHSD17B10HDAC4
SCHEMBL23995357 0.72 P2RX3 (0.33) SMN1; SMN2NPC1RAB9A
SCHEMBL22964891 0.72 NPC1 (0.42) SMN1; SMN2NPC1RAB9AHSD17B10HDAC4
SCHEMBL24444427 0.72 HDAC4 (0.48) SMN1; SMN2NPC1RAB9AHSD17B10HDAC4
SCHEMBL24445076 0.72 HDAC4 (0.48) SMN1; SMN2NPC1RAB9AHSD17B10HDAC4
SCHEMBL20663085 0.71 HDAC4 (0.39) SMN1; SMN2NPC1RAB9AHSD17B10HDAC4
SCHEMBL25005993 0.70 ACACB (0.34) SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL23995540 0.70 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHSD17B10ALDH1A1
SCHEMBL25005543 0.70 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1KMT2APOLBCHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E SMN1; SMN2 3774/4885NPC1 2281/4885RAB9A 2873/4885

“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.