SCHEMBL5120910

SCHEMBL5120910

CN(c1ccc(C[NH])cc1)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GALR3 O60755 1/20 0.44
LMNA P02545 5/20 0.44
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.38
CYP3A4 P08684 1/20 0.38
HTT P42858 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38

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
SCHEMBL14668531 0.83 RAB9A (0.48) SMN1; SMN2RAB9AMEN1ALDH1A1KMT2A
SCHEMBL955246 0.82 PSIP1 (0.47) SMN1; SMN2RAB9AMEN1ALDH1A1KMT2A
SCHEMBL31402193 0.82 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AMEN1ALDH1A1KMT2A
SCHEMBL7453984 0.82 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AMEN1ALDH1A1KMT2A
SCHEMBL10413567 0.82 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AMEN1ALDH1A1KMT2A
SCHEMBL9464684 0.82 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AMEN1ALDH1A1KMT2A
SCHEMBL12678495 0.80 RAB9A (0.56) SMN1; SMN2RAB9AMEN1ALDH1A1KMT2A
SCHEMBL7462737 0.80 RAB9A (0.49) SMN1; SMN2RAB9AMEN1ALDH1A1KMT2A
SCHEMBL5109984 0.79 L3MBTL1 (0.36) SMN1; SMN2RAB9AALDH1A1LMNAL3MBTL1
SCHEMBL7453612 0.79 NPC1 (0.51) SMN1; SMN2RAB9AMEN1ALDH1A1KMT2A

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-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US claimed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US claimed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 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 (1 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP SMN1; SMN2 2183/4885RAB9A 2543/4885MEN1 2912/4885

“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.