SCHEMBL31452079

SCHEMBL31452079

C=CC[C@H](C)Nc1nc(Cl)ncc1C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.46
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
PPP1CA P62136 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NFKB1 P19838 7/20 0.38
FOS P01100 6/20 0.38
JUN P05412 6/20 0.38
NFKB2 Q00653 6/20 0.38
RELA Q04206 6/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL17764556 0.84 SYK (0.51) SYKRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL11582959 0.82 SYK (0.49) SYKRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL654492 0.82 SYK (0.49) SYKRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL31679507 0.82 ALDH1A1 (0.53) SYKRAB9AALDH1A1NPC1L3MBTL1
SCHEMBL654750 0.80 SYK (0.48) SYKRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL27631703 0.80 SYK (0.48) SYKRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL655671 0.79 SYK (0.47) SYKRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL27612355 0.79 SYK (0.47) SYKRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL23620399 0.78 SYK (0.54) SYKALDH1A1NPC1KDM4ENFKB1
SCHEMBL14810384 0.78 KDM4E (0.57) SYKALDH1A1NPC1KDM4ENFKB1

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-20250049809-A1 INHIBITORS OF MUTANT IDH1 AND IDH2 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2025-02-13 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-20250049809-A1 INHIBITORS OF MUTANT IDH1 AND IDH2 IDH1, IDH2, IDH3A SYK 3341/4885RAB9A 1885/4885ALDH1A1 709/4885

“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.