SCHEMBL428174

SCHEMBL428174

C=CCc1cccc2nc(C(CC)C(=O)O)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
PKM P14618 4/20 0.38
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
HTT P42858 2/20 0.38
USP2 O75604 2/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C19 P33261 2/20 0.36
HSD17B10 Q99714 5/20 0.36
KDM4E B2RXH2 4/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35

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
SCHEMBL426942 0.84 PTGS2 (0.42) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL428015 0.79 KDM4E (0.42) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL28524131 0.78 MEN1 (0.39) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL433128 0.76 MAPT (0.38) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL425787 0.75 HSD17B10 (0.39) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL8852131 0.74 MGAM (0.49) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL9748533 0.74 CYP2C19 (0.46) ALDH1A1LMNACYP2C19HSD17B10KDM4E
SCHEMBL5262235 0.71 TDP1 (0.41) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL10212024 0.69 MEN1 (0.40) ALDH1A1MEN1KMT2APKMMAPT
SCHEMBL895908 0.68 HTT (0.45) ALDH1A1MEN1KMT2ANPSR1HTT

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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GABBR1, GABRQ, GABRE ALDH1A1 257/4885MEN1 4304/4885KMT2A 894/4885

“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.