SCHEMBL3134533

SCHEMBL3134533

Nc1ncc(Cc2ccc(Cl)cc2Cl)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
ABL1 P00519 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
HTT P42858 4/20 0.47
MAPT P10636 6/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX2 P34913 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
COPS5 Q92905 1/20 0.42
NPC1 O15118 1/20 0.42
PPP1CA P62136 1/20 0.42

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
SCHEMBL15522380 0.85 HSD17B10 (0.49) ALDH1A1ABL1SMN1; SMN2HTTMAPT
SCHEMBL2202151 0.85 HSD17B10 (0.49) ALDH1A1ABL1SMN1; SMN2HTTMAPT
SCHEMBL231018 0.81 POLB (0.52) ALDH1A1ABL1SMN1; SMN2HTTMAPT
SCHEMBL2201618 0.81 POLB (0.52) ALDH1A1ABL1SMN1; SMN2HTTMAPT
SCHEMBL12510281 0.78 EPHX2 (0.50) ALDH1A1ABL1SMN1; SMN2HTTMAPT
SCHEMBL27674641 0.77 EPHX2 (0.70) ALDH1A1ABL1HTTMAPTMEN1
SCHEMBL231214 0.77 EPHX2 (0.70) ALDH1A1ABL1HTTMAPTMEN1
SCHEMBL2202475 0.76 EPHX2 (0.44) ALDH1A1ABL1SMN1; SMN2HTTMAPT
SCHEMBL15522214 0.76 EPHX2 (0.44) ALDH1A1ABL1SMN1; SMN2HTTMAPT
SCHEMBL3134408 0.75 KMT2A (0.56) ALDH1A1SMN1; SMN2HTTMAPTMEN1

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-7595398-B2 N-(5-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
EP-1971597-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-09-24 EP disclosed
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2007070600-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 WO 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 ALDH1A1 4423/4885ABL1 2051/4885SMN1; SMN2 1431/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 ALDH1A1 4423/4885ABL1 2051/4885SMN1; SMN2 1431/4885

“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.