SCHEMBL24312997

SCHEMBL24312997

COc1cc2nc(C(C)C)[nH]c2cc1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.53
HSD17B10 Q99714 1/20 0.53
AMY1A P0DUB6 7/20 0.47
AAK1 Q2M2I8 3/20 0.42
CFB P00751 3/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
CYP1A2 P05177 1/20 0.40
FABP6 P51161 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
ATM Q13315 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
SCHEMBL21102087 0.88 KDM4E (0.57) KDM4ELMNAHSD17B10AMY1AAAK1
SCHEMBL24313050 0.84 KDM4E (0.53) KDM4ELMNAHSD17B10AMY1AAAK1
SCHEMBL12724845 0.83 KDM4E (0.62) KDM4ELMNAHSD17B10AMY1ACYP1A2
SCHEMBL17702668 0.80 AMY1A (0.51) KDM4EAMY1APDE3BPDE3AFABP6
SCHEMBL7473230 0.77 KDM4E (0.46) KDM4ELMNAHSD17B10AMY1AAAK1
SCHEMBL5990707 0.77 KDM4E (0.56) KDM4ELMNAHSD17B10AMY1AAAK1
SCHEMBL17300677 0.77 HSD17B10 (0.56) KDM4ELMNAHSD17B10AMY1ACYP1A2
SCHEMBL16599647 0.77 KDM4E (0.56) KDM4ELMNAHSD17B10AMY1ACYP1A2
SCHEMBL13542756 0.77 KDM4E (0.56) KDM4ELMNAHSD17B10AMY1APDE3B
SCHEMBL12938095 0.77 KDM4E (0.69) KDM4ELMNAHSD17B10AAK1CYP1A2

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-20220096441-A1 TREATMENT OF ACANTHAMOEBA OR BALAMUTHIA TROPHOZOITES AND/OR CYSTS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2022-03-31 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-20220096441-A1 TREATMENT OF ACANTHAMOEBA OR BALAMUTHIA TROPHOZOITES AND/OR CYSTS PKD2, PKD1, MUC1 KDM4E 3891/4885LMNA 3130/4885HSD17B10 2450/4885

“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.