SCHEMBL16866331

SCHEMBL16866331

Cc1cc(Br)ccc1NC(=O)c1cscn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.49
MAPT P10636 7/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
GRM4 Q14833 1/20 0.46
PIM1 P11309 1/20 0.45
THRB P10828 1/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
MAP3K5 Q99683 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL16866329 0.85 KMT2A (0.64) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL25381987 0.84 MAPT (0.55) MAPTMEN1KMT2AGRM4PIM1
SCHEMBL2463867 0.83 GRM4 (0.62) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL2430832 0.82 PIM1 (0.43) MAPTNPC1RAB9AALDH1A1GRM4
SCHEMBL2434289 0.81 GRM4 (0.44) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL13626622 0.80 PIM1 (0.59) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL29151262 0.80 RAB9A (0.59) MAPTNPC1RAB9AALDH1A1MEN1
Ammonia Solution, Strong SCHEMBL27976383 0.79 PIM1 (0.57) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL16866334 0.76 GRM4 (0.42) KMT2AGRM4PIM1MAP3K5
SCHEMBL24129805 0.74 GRM4 (0.43) MAPTNPC1RAB9AALDH1A1MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase COCRYSTAL PHARMA, INC. 2017-09-28 US disclosed
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase COCRYSTAL PHARMA, INC. 2017-09-28 US disclosed
US-9707215-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL, DISCOVERY, INC. (US) 2017-07-18 US disclosed
US-9707215-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL, DISCOVERY, INC. (US) 2017-07-18 US disclosed
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2015-07-02 US disclosed
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2015-07-02 US 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-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2E, POLR2H, GTF3C3 DHODH 2034/4885MAPT 3645/4885NPC1 353/4885
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase POLR2E, POLR2H, GTF3C3 DHODH 2034/4885MAPT 3645/4885NPC1 353/4885

“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.