SCHEMBL18344233

SCHEMBL18344233

c1ccc2oc(N(C3CC3)C3COC3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
RAB9A P51151 8/20 0.38
NPC1 O15118 7/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
CHRNA7 P36544 1/20 0.37
HTR3A P46098 1/20 0.37
CXCR3 P49682 1/20 0.36
PSMB8 P28062 1/20 0.36
TP53 P04637 3/20 0.35
LMNA P02545 1/20 0.35
DDAH1 O94760 1/20 0.35
ADRA2C P18825 1/20 0.35
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 3/20 0.34

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
SCHEMBL18344177 0.80 RAB9A (0.47) KMT2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL21047751 0.69 NPC1 (0.42) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL9774872 0.68 CXCR3 (0.49) KMT2ARAB9ANPC1MAPTCHRNA7
SCHEMBL11330961 0.68 MAPT (0.48) KMT2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL5247027 0.67 CXCR3 (0.56) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL3655289 0.66 CHEK2 (0.46) RAB9ANPC1MAPTCHRNA7HTR3A
SCHEMBL3655285 0.66 CHEK2 (0.46) RAB9ANPC1MAPTCHRNA7HTR3A
SCHEMBL24155371 0.65 NPC1 (0.46) KMT2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL11276123 0.65 MAPT (0.46) KMT2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6902562 0.65 MAPT (0.46) KMT2ARAB9ANPC1MAPTSMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136317-B2 NADPH oxidase 4 inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2021-10-05 US disclosed
US-20200165235-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2020-05-28 US disclosed
US-10584118-B2 NADPH oxidase 4 inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2020-03-10 US disclosed
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2018-06-28 US disclosed
EP-3310767-A1 NADPH OXIDASE 4 INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2018-04-25 EP disclosed
WO-2016207785-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2016-12-29 WO 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 (4 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-10584118-B2 NADPH oxidase 4 inhibitors NOX4, NOX1, CYBB KMT2A 3332/4885CHRM2 3099/4885CHRM4 2542/4885
US-20200165235-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB KMT2A 3332/4885CHRM2 3099/4885CHRM4 2542/4885
US-11136317-B2 NADPH oxidase 4 inhibitors NOX4, NOX1, CYBB KMT2A 3332/4885CHRM2 3099/4885CHRM4 2542/4885
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB KMT2A 3332/4885CHRM2 3099/4885CHRM4 2542/4885

“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.