SCHEMBL1926164

SCHEMBL1926164

CC(C)(C)Nc1nc2c(s1)C[N]CC2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.30

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
SCHEMBL19990184 0.56 TSHR (0.57) SMN1; SMN2HPGDHTTNPC1RAB9A
SCHEMBL13015658 0.55 TSHR (0.66) SMN1; SMN2HPGDHTTNPC1RAB9A
SCHEMBL1819892 0.53 IDO1 (0.59) SMN1; SMN2NPC1RAB9ATSHRGAA
SCHEMBL10893635 0.52 APOBEC3A (0.53) SMN1; SMN2HPGDHTTNPC1RAB9A
SCHEMBL11552663 0.52 ALDH1A1 (0.30) GAA
SCHEMBL13348704 0.52 TP53 (0.42) SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL8554826 0.52 ALDH1A1 (0.50) SMN1; SMN2HPGDNPC1RAB9ATSHR
SCHEMBL14184991 0.52 GAA (0.53) SMN1; SMN2HPGDNPC1RAB9ATSHR
Hydrochloric Acid SCHEMBL10893751 0.51 APOBEC3A (0.52) SMN1; SMN2HPGDHTTNPC1RAB9A
SCHEMBL10110823 0.51 GFER (0.49) SMN1; SMN2HPGDHTTNPC1RAB9A

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-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 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 (3 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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 SMN1; SMN2 2642/4885HPGD 903/4885HTT 3958/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 SMN1; SMN2 2642/4885HPGD 903/4885HTT 3958/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 SMN1; SMN2 2642/4885HPGD 903/4885HTT 3958/4885

“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.