SCHEMBL3140333

SCHEMBL3140333

O=C(Nc1ccc(-c2csc(NC(=O)C3CCC(=O)N3C(=O)OCc3ccccc3)n2)cc1)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.45
FAAH O00519 2/20 0.45
EPHX2 P34913 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ABL1 P00519 1/20 0.45
ELOVL1 Q9BW60 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL13713026 1.00 ENPP2 (0.47) ENPP2RAB9ANPC1MEN1KMT2A
SCHEMBL3139893 0.85 ENPP2 (0.49) ENPP2MEN1KMT2AHPGDKDM4E
SCHEMBL3139885 0.85 ENPP2 (0.49) ENPP2MEN1KMT2AHPGDKDM4E
SCHEMBL3148206 0.84 LMNA (0.59) ENPP2MEN1KMT2AKDM4EALDH1A1
SCHEMBL13524190 0.83 POLB (0.58) ENPP2RAB9ANPC1MEN1KMT2A
SCHEMBL13712997 0.83 POLB (0.58) ENPP2RAB9ANPC1MEN1KMT2A
SCHEMBL3130560 0.83 POLB (0.58) ENPP2RAB9ANPC1MEN1KMT2A
SCHEMBL3144494 0.82 LMNA (0.59) ENPP2RAB9ANPC1MEN1KMT2A
SCHEMBL4387495 0.81 KDM4E (0.51) ENPP2RAB9ANPC1MEN1KMT2A
SCHEMBL4386052 0.78 POLB (0.52) ENPP2MEN1KMT2AHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds SCHMITZ FRANZ ULRICH 2010-01-07 US disclosed
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds SCHMITZ FRANZ ULRICH 2010-01-07 US disclosed
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds SCHMITZ FRANZ ULRICH 2010-01-07 US disclosed
US-7595398-B2 N-(5-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 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 (2 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-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, HAVCR2 ENPP2 4131/4885RAB9A 487/4885NPC1 1259/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 ENPP2 4131/4885RAB9A 487/4885NPC1 1259/4885

“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.