SCHEMBL6102408

SCHEMBL6102408

O=C(OCc1ccc([N+](=O)[O-])cc1)N1CCC(O)C(O)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.48
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
ATM Q13315 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6104410 1.00 GBA1 (0.48) GBA1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL6104418 1.00 GBA1 (0.48) GBA1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL6102412 1.00 GBA1 (0.48) GBA1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL6102402 1.00 GBA1 (0.48) GBA1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL4476414 0.89 ALDH1A1 (0.47) GBA1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL5723982 0.89 ALDH1A1 (0.47) GBA1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL5723978 0.89 ALDH1A1 (0.47) GBA1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL5724018 0.86 SMN1; SMN2 (0.51) GBA1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL6400164 0.85 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL5724224 0.85 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2MAPTRAB9A

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-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-01-05 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-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors CDK2, ERBB2, MAP3K3 GBA1 4722/4885ALDH1A1 1528/4885LMNA 3833/4885

“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.