SCHEMBL1789476

SCHEMBL1789476

CC(C)(C)NS(=O)(=O)c1cc(Cl)cc(CN)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
PARG Q86W56 1/20 0.38
JAK2 O60674 2/20 0.36
ACLY P53396 1/20 0.36
TSHR P16473 1/20 0.35
DUT P33316 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD11B1 P28845 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5003464 0.89 SMN1; SMN2 (0.51) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL12612010 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL1788802 0.79 SMN1; SMN2 (0.40) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL29051918 0.75 MAPT (0.61) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL30468417 0.75 MAPT (0.61) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL1016985 0.75 ADRA1D (0.46) MAPT
SCHEMBL1794661 0.72 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL1791387 0.72 ACLY (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL5006947 0.71 SMN1; SMN2 (0.51) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL9917388 0.70 LMNA (0.69) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536187-B2 2,4,6-trisubstituted pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2013-09-17 US disclosed
US-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2011-05-26 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-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, CYP2S1, DPYD ALDH1A1 732/4885KDM4E 3849/4885MAPT 2402/4885

“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.