SCHEMBL24312987

SCHEMBL24312987

c1ccc(-c2nc3ccc(-c4nc5ccc(C6=NCCCN6)cc5[nH]4)cc3[nH]2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
TSHR P16473 2/20 0.56
NISCH Q9Y2I1 2/20 0.56
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HSD17B10 Q99714 3/20 0.50
TP53 P04637 2/20 0.50
GLA P06280 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 1/20 0.50
GFER P55789 1/20 0.50
RCE1 Q9Y256 1/20 0.50

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
SCHEMBL24313347 0.88 SCD (0.48) GAATSHRNISCHKDM4EALDH1A1
SCHEMBL21900562 0.86 MEN1 (0.59) GAATSHRNISCHKDM4EALDH1A1
SCHEMBL20184770 0.85 PRMT1 (0.53) GAANISCHKDM4EALDH1A1HPGD
SCHEMBL21856214 0.85 MEN1 (0.48) GAATSHRNISCHKDM4EALDH1A1
SCHEMBL20982698 0.85 PRMT1 (0.56) GAANISCHKDM4EALDH1A1HPGD
SCHEMBL8164925 0.85 GAA (0.50) GAATSHRNISCHMEN1KMT2A
SCHEMBL548421 0.85 GAA (0.50) GAATSHRNISCHMEN1KMT2A
SCHEMBL24312904 0.85 SCD (0.47) GAATSHRNISCHALDH1A1HPGD
SCHEMBL29558757 0.85 SCD (0.47) GAATSHRNISCHALDH1A1HPGD
SCHEMBL14854551 0.84 PRMT1 (0.50)

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 GAA 1110/4885TSHR 3947/4885NISCH 170/4885

“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.