SCHEMBL3591814

SCHEMBL3591814

O=c1cc(N2CCOCC2)c2ccc([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
POLB P06746 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
MAPT P10636 3/20 0.48
LMNA P02545 4/20 0.47
PARP1 P09874 1/20 0.47
HTT P42858 5/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 2/20 0.46
IDE P14735 1/20 0.46
KDM4E B2RXH2 1/20 0.46
BRD4 O60885 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
KMT2A Q03164 2/20 0.44
PAX8 Q06710 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL4449048 0.79 MAPT (0.50) POLBSMN1; SMN2MAPTPARP1KDM4E
SCHEMBL13545371 0.76 AR (0.50) MAPTBRD4MAPK1
SCHEMBL3604526 0.74 PARP1 (0.58) ALDH1A1POLBMAPTPARP1KMT2A
SCHEMBL30833685 0.73 MAPK1 (0.52) ALDH1A1POLBTDP1SMN1; SMN2MAPT
SCHEMBL29190669 0.73 MAPK1 (0.52) ALDH1A1POLBTDP1SMN1; SMN2MAPT
SCHEMBL29937693 0.73 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL2103553 0.73 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL7800482 0.73 GAA (0.72) ALDH1A1TDP1SMN1; SMN2MAPTLMNA
SCHEMBL3252580 0.73 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL521191 0.72 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP disclosed
CN-101589038-A Heterocyclidene-N-(aryl)acetamide derivative MOCHIDA PHARM CO LTD (JP) 2009-11-25 CN 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 ALDH1A1 1904/4885POLB 1341/4885TDP1 4591/4885

“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.