SCHEMBL9911573

SCHEMBL9911573

CC(=O)Nc1cc2ccc(C#CI)cc2oc1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.59
ALDH1A1 P00352 7/20 0.59
MAOA P21397 5/20 0.59
HPGD P15428 4/20 0.59
HSD17B10 Q99714 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 2/20 0.59
CYP1A2 P05177 1/20 0.59
GAA P10253 3/20 0.58
GLA P06280 2/20 0.58
CASP1 P29466 2/20 0.58
CASP7 P55210 2/20 0.58
MAOB P27338 9/20 0.52
TP53 P04637 3/20 0.43
POLB P06746 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
PKM P14618 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL12900856 0.88 MAOB (0.47) KDM4EALDH1A1MAOAHPGDHSD17B10
SCHEMBL22017335 0.84 KDM4E (0.62) KDM4EALDH1A1MAOAHPGDHSD17B10
SCHEMBL6933429 0.78 KDM4E (0.68) KDM4EALDH1A1MAOAHPGDHSD17B10
SCHEMBL1607327 0.78 KDM4E (0.68) KDM4EALDH1A1MAOAHPGDHSD17B10
SCHEMBL893303 0.75 KDM4E (1.00) KDM4EALDH1A1MAOAHPGDHSD17B10
SCHEMBL11396698 0.75 ALDH1A1 (0.78) KDM4EALDH1A1MAOAHPGDHSD17B10
SCHEMBL6936676 0.74 KDM4E (1.00) KDM4EALDH1A1MAOAHPGDHSD17B10
SCHEMBL28724998 0.72 KDM4E (0.60) KDM4EALDH1A1MAOAHPGDHSD17B10
SCHEMBL9911574 0.72 MAOB (0.49) KDM4EALDH1A1MAOAHPGDHSD17B10
SCHEMBL2792074 0.70 KDM4E (0.71) KDM4EALDH1A1MAOAHPGDHSD17B10

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-20120142935-A1 COPPER CATALYZED CYCLOADDITION OF ORGANIC AZIDES AND 1-HALOALKYNES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-07 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-20120142935-A1 COPPER CATALYZED CYCLOADDITION OF ORGANIC AZIDES AND 1-HALOALKYNES AOC3, AOC2, CBR3 KDM4E 4198/4885ALDH1A1 223/4885MAOA 1109/4885

“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.