SCHEMBL24915955

SCHEMBL24915955

COc1cc(C(=O)N2CCN(C)CC2)c2nccc(C(C)C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
HRH4 Q9H3N8 2/20 0.42
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
SYK P43405 3/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
CPS1 P31327 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL24915862 0.91 HPGD (0.46) ALDH1A1HPGDHSD17B10CYP1A2TSHR
SCHEMBL24915956 0.88 HSP90AA1 (0.47) ALDH1A1HPGDHSD17B10SYKNPC1
SCHEMBL24915853 0.80 LMNA (0.50) ALDH1A1HPGDHSD17B10TSHRNPC1
SCHEMBL24915860 0.79 RPS6KB1 (0.52) KDM4E
SCHEMBL24915958 0.78 ELANE (0.43) HRH4
SCHEMBL24915854 0.77 MTNR1A (0.43) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL24915857 0.77 LMNA (0.39) CYP1A2CYP3A4SYKKDM4EPIK3C3
SCHEMBL24915856 0.77 JAK2 (0.42) ALDH1A1HPGDNPC1RAB9ATP53
SCHEMBL24915957 0.76 LRRK2 (0.45) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL24916220 0.76 DPP4 (0.45) ALDH1A1HPGDNPC1RAB9ATP53

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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 ALDH1A1 3815/4885HPGD 3370/4885HRH4 2984/4885

“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.