SCHEMBL3147991

SCHEMBL3147991

COc1ccc(-c2csc(N)n2)cc1Br

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.74
ALDH1A1 P00352 7/20 0.69
RAB9A P51151 7/20 0.69
NPC1 O15118 6/20 0.69
SMN1; SMN2 Q16637 6/20 0.69
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
POLB P06746 2/20 0.58
KDM4E B2RXH2 3/20 0.54
HPGD P15428 3/20 0.53
HK1 P19367 1/20 0.53
HKDC1 Q2TB90 1/20 0.53
LTA4H P09960 4/20 0.51
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
GFER P55789 2/20 0.50
AR P10275 1/20 0.50
ALOX12 P18054 1/20 0.49
LMNA P02545 1/20 0.47

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
SCHEMBL427925 0.86 MEN1 (0.75) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
Bromide SCHEMBL8360766 0.84 NPC1 (0.73) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL31084666 0.84 RAB9A (0.73) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL25288808 0.84 RAB9A (0.73) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5328182 0.83 RAB9A (0.71) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL474433 0.82 RAB9A (0.51) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL474224 0.82 MPL (0.52) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL10200393 0.82 RAB9A (0.69) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL21484770 0.82 ALDH1A1 (0.69) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
Bromide SCHEMBL8360818 0.82 RAB9A (0.69) MAPTALDH1A1RAB9ANPC1SMN1; SMN2

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 MAPT 1615/4885ALDH1A1 4423/4885RAB9A 487/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 MAPT 1615/4885ALDH1A1 4423/4885RAB9A 487/4885

“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.