SCHEMBL22004331

SCHEMBL22004331

Cc1cc2cc(Cl)c(O)cc2n1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACLY P53396 6/20 0.47
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.33
DHFR P00374 1/20 0.33
SLC2A1 P11166 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL22003820 0.78 ACLY (0.51) ACLYTSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL22004332 0.77 ACLY (0.47) ACLYHPGDTSHRHSD17B10ALDH1A1
SCHEMBL22004320 0.74 MAPT (0.41) ACLYLMNASMN1; SMN2NPC1RAB9A
SCHEMBL22003794 0.71 MAPT (0.46) ACLYDHFRSLC2A1ALDH1A1SMN1; SMN2
SCHEMBL22004319 0.71 ACLY (0.52) ACLYHPGDALDH1A1MEN1MAPT
SCHEMBL22004417 0.65 ACLY (1.00) ACLY
SCHEMBL1885008 0.64 KMT2A (0.42) HPGDTSHRHSD17B10LMNADHFR
SCHEMBL24345321 0.61 ALDH1A1 (0.47) DHFRSLC2A1ALDH1A1
SCHEMBL22939250 0.61 DHFR (0.38) DHFRSLC2A1ALDH1A1MAPT
SCHEMBL23847834 0.61 PTGS1 (0.46) HPGDTSHRHSD17B10LMNAALDH1A1

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
WO-2020102616-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. (US) 2020-05-22 WO disclosed
US-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG ACLY 1/4885HPGD 1212/4885TSHR 4803/4885

“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.