SCHEMBL5652491

SCHEMBL5652491

CCOC(=O)c1cccc(-c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 1/20 0.51
MAPT P10636 4/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
LMNA P02545 2/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 1/20 0.48
MAPK1 P28482 1/20 0.47
PTGER4 P35408 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL7815751 0.85 ERN1 (0.58) ALDH1A1SMN1; SMN2KMT2AMAPTRAB9A
SCHEMBL28433847 0.84 KMT2A (0.46) ALDH1A1SMN1; SMN2KMT2AMAPTRAB9A
SCHEMBL17461847 0.84 ALDH1A1 (0.52) ALDH1A1GAASMN1; SMN2KMT2AMAPT
SCHEMBL28007683 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2AMAPTRAB9A
SCHEMBL3947571 0.81 POLB (0.54) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL28669741 0.79 ALDH1A1 (0.64) ALDH1A1MAPTLMNATDP1TP53
SCHEMBL13011385 0.79 HSD17B2 (0.53) ALDH1A1GAASMN1; SMN2KMT2AMAPT
SCHEMBL29617015 0.79 TP53 (0.62) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL5651802 0.79 ALDH1A1 (0.53) ALDH1A1GAASMN1; SMN2KMT2AMAPT
SCHEMBL13830792 0.79 NPC1 (0.52) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1

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-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists ASTELLAS PHARMA INC. (JP) 2007-06-21 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-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists PTGER4, OXER1, RXFP4 ALDH1A1 1570/4885GAA 4769/4885SMN1; SMN2 3483/4885

“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.