SCHEMBL24311784

SCHEMBL24311784

CCC(C)(C)c1ncnn1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
KDM4A O75164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ABL1 P00519 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
CDH1 P12830 1/20 0.33
TCF4 P15884 1/20 0.33
TSHR P16473 1/20 0.33
APC P25054 1/20 0.33
CASP1 P29466 1/20 0.33
CTNNB1 P35222 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 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
SCHEMBL10306227 0.82 ATM (0.31) ATM
SCHEMBL12499905 0.74 ATM (0.35) KDM4ENPC1KDM4AALDH1A1ABL1
SCHEMBL22022940 0.71 PTGS1 (0.33) HTTKMT2A
SCHEMBL22958884 0.70 PTGS1 (0.33) HTTKMT2A
SCHEMBL19503911 0.69
SCHEMBL13542637 0.68 ATM (0.33) ATM
SCHEMBL26552213 0.67
SCHEMBL10288648 0.67 KMT2A (0.44) KDM4EALDH1A1LMNAPOLBMAPT
SCHEMBL9972765 0.64
SCHEMBL11890333 0.64 GABRA1 (0.33) KDM4ENPC1KDM4AALDH1A1ABL1

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-20230159465-A1 IMMUNOMODULATOR HITGEN INC. (CN) 2023-05-25 US disclosed
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-04-21 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 (2 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-20230159465-A1 IMMUNOMODULATOR IL2, IL17A, IL2RA KDM4E 3572/4885NPC1 1184/4885KDM4A 4079/4885
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, SNCA KDM4E 2299/4885NPC1 328/4885KDM4A 3286/4885

“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.