SCHEMBL3609735

SCHEMBL3609735

O=C(O)N(Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)Cc1nccs1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
FAAH O00519 1/20 0.57
KDM4E B2RXH2 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
LMNA P02545 4/20 0.55
HTT P42858 1/20 0.53
RECQL P46063 1/20 0.53
USP2 O75604 2/20 0.52
PKM P14618 1/20 0.52
MAPT P10636 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL3614199 0.85 LMNA (0.65) ALDH1A1KDM4ETDP1SMN1; SMN2MEN1
SCHEMBL3611517 0.82 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1SMN1; SMN2MEN1
SCHEMBL3612655 0.80 MEN1 (0.62) ALDH1A1FAAHKDM4ETDP1SMN1; SMN2
SCHEMBL13316893 0.80 FAAH (0.56) ALDH1A1FAAHKDM4ETDP1SMN1; SMN2
SCHEMBL12058759 0.77 KMT2A (0.75) ALDH1A1KDM4ETDP1SMN1; SMN2MEN1
SCHEMBL3608552 0.77 SLC6A7 (0.57) ALDH1A1KDM4E
SCHEMBL8925693 0.75 ALDH1A1 (0.75) ALDH1A1KDM4ETDP1SMN1; SMN2MEN1
SCHEMBL94838 0.75 MEN1 (0.72) ALDH1A1KDM4ETDP1SMN1; SMN2MEN1
SCHEMBL13959022 0.74 MEN1 (0.67) ALDH1A1KDM4ETDP1SMN1; SMN2MEN1
SCHEMBL5600177 0.74 MEN1 (0.67) ALDH1A1KDM4ETDP1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US claimed
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 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-20100152188-A1 Novel Heterocyclic Compounds CYP11B2, CYP3A5, CYP11B1 ALDH1A1 370/4885FAAH 2091/4885KDM4E 3755/4885

“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.