SCHEMBL3138977

SCHEMBL3138977

Nc1nc(NC(=O)c2ccc(Cl)cc2)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.57
KMT2A Q03164 4/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 2/20 0.51
F2 P00734 1/20 0.51
ADORA3 P0DMS8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
RAB9A P51151 7/20 0.49
NPC1 O15118 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
NT5E P21589 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TLR7 Q9NYK1 1/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL11887625 0.80 RAB9A (0.60) RXFP1KMT2AMAPTHTTMEN1
SCHEMBL12156266 0.74 RXFP1 (0.59) RXFP1KMT2ALMNAMAPTL3MBTL1
SCHEMBL2642609 0.73 PIK3CG (0.53) KMT2ALMNAMAPTHTTMEN1
SCHEMBL11839455 0.72 RXFP1 (0.67) RXFP1KMT2ALMNAMAPTMEN1
SCHEMBL10537469 0.71 GABRA5 (0.44) KMT2ALMNAMAPTHTTMEN1
SCHEMBL654734 0.70 RXFP1 (0.54) RXFP1KMT2ALMNAMAPTHTT
SCHEMBL17107148 0.70 SCD (0.78) KMT2ALMNAMAPTHTTMEN1
SCHEMBL3602994 0.70 MAPT (0.59) RXFP1KMT2ALMNAMAPTHTT
SCHEMBL3592974 0.70 MAPT (0.59) RXFP1KMT2ALMNAMAPTHTT
SCHEMBL12155366 0.69 RXFP1 (0.49) RXFP1KMT2AHTTL3MBTL1RAB9A

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 RXFP1 3490/4885KMT2A 2419/4885LMNA 1094/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 RXFP1 3490/4885KMT2A 2419/4885LMNA 1094/4885

“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.