SCHEMBL17148404

SCHEMBL17148404

CC(C)(C)OC(C(=O)Nc1ccc(NC(=O)c2cscn2)nc1)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.42
NPC1 O15118 6/20 0.42
TP53 P04637 5/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
FFAR2 O15552 2/20 0.41
PAX8 Q06710 1/20 0.38
KLF5 Q13887 1/20 0.38
MAPT P10636 2/20 0.38
CYP2C19 P33261 1/20 0.38
MAP3K5 Q99683 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
GRM4 Q14833 1/20 0.37
MAPK1 P28482 1/20 0.37
GRM5 P41594 1/20 0.37

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
SCHEMBL15701037 0.85 NPC1 (0.48) RAB9ANPC1TP53ALDH1A1MEN1
SCHEMBL15701054 0.85 NPC1 (0.48) RAB9ANPC1TP53ALDH1A1MEN1
SCHEMBL15701233 0.85 NPC1 (0.48) RAB9ANPC1TP53ALDH1A1MEN1
SCHEMBL17148297 0.84 S1PR3 (0.45) RAB9ANPC1TP53ALDH1A1MEN1
SCHEMBL15701044 0.83 FFAR2 (0.61) MEN1KMT2AFFAR2LMNA
SCHEMBL15701043 0.83 FFAR2 (0.61) MEN1KMT2AFFAR2LMNA
SCHEMBL19446696 0.83 FFAR2 (0.61) MEN1KMT2AFFAR2LMNA
SCHEMBL15701131 0.79 ALDH1A1 (0.43) RAB9ANPC1TP53ALDH1A1MEN1
SCHEMBL15701132 0.79 FFAR2 (0.47) RAB9ANPC1TP53ALDH1A1MEN1
SCHEMBL17148397 0.77 RAB9A (0.45) RAB9ANPC1TP53ALDH1A1MEN1

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-9334249-B2 Inhibitors of cytomegalovirus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-08 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-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS CDKN1A, CCNA1, IFNAR1 RAB9A 1015/4885NPC1 504/4885TP53 946/4885

“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.