SCHEMBL20182439

SCHEMBL20182439

CSc1ccc(C2=CCN(C(=O)CO)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CNR1 P21554 1/20 0.46
QDPR P09417 2/20 0.46
NAMPT P43490 6/20 0.45
MAPK1 P28482 1/20 0.45
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
KHK P50053 1/20 0.44
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL16922689 0.85 MEN1 (0.55) MEN1KMT2ACNR1QDPRNAMPT
SCHEMBL16920229 0.81 CNR1 (0.55) MEN1KMT2ACNR1QDPRNAMPT
SCHEMBL21171650 0.77 NAMPT (0.58) NAMPT
SCHEMBL15867804 0.75 MEN1 (0.44) MEN1KMT2ACNR1QDPRNAMPT
SCHEMBL17548158 0.74 QDPR (0.58) MEN1KMT2AQDPRNAMPTCCNT1
SCHEMBL14023951 0.72 MEN1 (0.44) MEN1KMT2ACNR1QDPRNAMPT
SCHEMBL14224507 0.71 MAPK1 (0.58) MEN1KMT2ACNR1QDPRNAMPT
SCHEMBL2606198 0.71 MEN1 (0.40) MEN1KMT2ACNR1NAMPTMAPK1
SCHEMBL20026400 0.70 CNR1 (0.43) MEN1KMT2ACNR1QDPRNAMPT
SCHEMBL2636491 0.70 ALDH1A1 (0.48) MEN1KMT2AQDPRKHKNPC1

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-20180141906-A1 INDOLE AND AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO. , LTD. (JP) 2018-05-24 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-20180141906-A1 INDOLE AND AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAA1, PRKAA2, PRKAG3 MEN1 3730/4885KMT2A 576/4885CNR1 215/4885

“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.