SCHEMBL5149849

SCHEMBL5149849

Nc1nc(Cc2ccc([N+](=O)[O-])cc2)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
POLB P06746 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.46
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
Bromide SCHEMBL21382416 0.98 MAPT (0.60) MAPTPOLBLOXL2MGAMGAA
SCHEMBL4275204 0.83 TSHR (0.48) MAPTPOLBMGAMGAASI
SCHEMBL15512235 0.82 IDO1 (0.63) MAPTLOXL2MGAMGAASI
SCHEMBL4825899 0.82 POLB (0.49) MAPTPOLBLOXL2GAARAB9A
SCHEMBL4834152 0.79 HDAC1 (0.50) MAPTPOLBLOXL2GAARAB9A
SCHEMBL5149718 0.79 NOS1 (0.51) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL9045517 0.78 MAPT (0.54) MAPTPOLBGAARAB9ANPC1
SCHEMBL623682 0.76 NPC1 (0.59) MAPTRAB9ANPC1ALDH1A1NOS1
SCHEMBL5041901 0.76 RAB9A (0.51) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL30513256 0.76 RAB9A (0.58) MAPTRAB9ANPC1ALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10899719-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2021-01-26 US disclosed
US-20200223808-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2020-07-16 US disclosed
CN-102459165-B Antiviral compound ABBVIE (US) 2015-09-02 CN disclosed
WO-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 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-10899719-B2 Aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions comprising the same CYP7A1, NAT1, NCOA1 MAPT 2714/4885POLB 1079/4885LOXL2 898/4885
US-20200223808-A1 NOVEL ARYL OR HETEROARYL TRIAZOLONE DERIVATIVES OR SALTS THEREOF, OR PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CYP7A1, VAPB, SLC10A1 MAPT 2902/4885POLB 1520/4885LOXL2 695/4885

“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.