SCHEMBL24312923

SCHEMBL24312923

CC(C)c1ccc(OCN(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
CXCR1 P25024 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FKBP1A P62942 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
IDO1 P14902 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
SCHEMBL84461 0.80 HRH3 (0.59) KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL3664139 0.79 KDM4E (0.65) KMT2AMEN1KDM4ELMNASMN1; SMN2
SCHEMBL10824702 0.78 KMT2A (0.59) KMT2AMEN1RAB9ANPC1RXRA
SCHEMBL22831355 0.76 KCNH2 (0.53) KMT2AMEN1KDM4ELMNAHTT
SCHEMBL24352739 0.76 KMT2A (0.45) KMT2AMEN1RAB9ANPC1RXRA
SCHEMBL24352850 0.76 KMT2A (0.45) KMT2AMEN1RAB9ANPC1RXRA
SCHEMBL683602 0.76 NQO1 (0.67) KMT2AMEN1RAB9ANPC1RXRA
SCHEMBL14579974 0.76 MEN1 (0.62) KMT2AMEN1RAB9ANPC1RXRA
SCHEMBL10593412 0.76 MEN1 (0.62) KMT2AMEN1RAB9ANPC1RXRA
SCHEMBL1290714 0.75 TAAR1 (0.54) KMT2AMEN1RXRARXRBESR1

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 KMT2A 655/4885MEN1 177/4885RAB9A 1977/4885

“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.