SCHEMBL3148249

SCHEMBL3148249

Nc1nc(-c2c(F)c(F)c(F)c(F)c2-c2ccccc2)cs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
RAB9A P51151 7/20 0.59
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
NPC1 O15118 6/20 0.59
MAPT P10636 4/20 0.59
KDM4E B2RXH2 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
CYP3A4 P08684 2/20 0.59
LMNA P02545 1/20 0.59
MPL P40238 3/20 0.56
HSD17B10 Q99714 3/20 0.51
ALOX5 P09917 1/20 0.50
LTA4H P09960 1/20 0.47
AR P10275 1/20 0.46
GFER P55789 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL3277680 0.82 HSD17B10 (0.70) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL44869 0.78 ALDH1A1 (1.00) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL1800719 0.77 MPL (0.65) ALDH1A1RAB9AMEN1KMT2ANPC1
Bromide SCHEMBL7128948 0.76 ALDH1A1 (0.96) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL1800641 0.75 MPL (0.53) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL2907964 0.74 ALDH1A1 (1.00) ALDH1A1RAB9AMEN1KMT2ANPC1
Bromide SCHEMBL5325472 0.74 ALDH1A1 (1.00) ALDH1A1RAB9AMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL5450269 0.74 ALDH1A1 (0.92) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL7713106 0.73 LMNA (0.48) ALDH1A1RAB9ANPC1MAPTCYP3A4
SCHEMBL2381545 0.72 ALDH1A1 (0.62) ALDH1A1RAB9AMEN1KMT2ANPC1

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 4423/4885RAB9A 487/4885MEN1 3838/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 ALDH1A1 4423/4885RAB9A 487/4885MEN1 3838/4885

“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.