SCHEMBL5651802

SCHEMBL5651802

CCOC(=O)c1cccc(-c2ccccc2N)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HSD17B10 Q99714 3/20 0.53
HPGD P15428 3/20 0.52
MAPT P10636 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CDC25B P30305 2/20 0.52
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
GALR1 P47211 1/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL3947571 0.85 POLB (0.54) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL396896 0.84 CA12 (0.54) ALDH1A1HSD17B10HPGDMAPTRAB9A
SCHEMBL5654036 0.84 CYP1A2 (0.60) ALDH1A1HSD17B10HPGDMAPTRAB9A
SCHEMBL29617015 0.83 TP53 (0.62) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL5096355 0.83 TP53 (0.51) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL13830792 0.83 NPC1 (0.52) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL2404818 0.82 NPC1 (0.59) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL4193217 0.81 TP53 (0.61) HPGDTP53POLBGALR1
SCHEMBL28344398 0.81 RAB9A (0.53) ALDH1A1HSD17B10HPGDMAPTRAB9A
SCHEMBL3731320 0.81 SMN1; SMN2 (0.60) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E

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 1570/4885HSD17B10 1255/4885HPGD 126/4885

“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.