SCHEMBL17148397

SCHEMBL17148397

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.45
NPC1 O15118 6/20 0.45
PAX8 Q06710 1/20 0.45
KLF5 Q13887 1/20 0.45
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
TP53 P04637 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C19 P33261 1/20 0.42
P4HTM Q9NXG6 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRM4 Q14833 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL15701132 0.88 FFAR2 (0.47) RAB9ANPC1PAX8KLF5KMT2A
SCHEMBL17148404 0.77 RAB9A (0.42) RAB9ANPC1PAX8KLF5KMT2A
SCHEMBL19446769 0.75 MAP3K5 (0.49) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL15701233 0.75 NPC1 (0.48) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL15701054 0.75 NPC1 (0.48) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL15701037 0.75 NPC1 (0.48) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL15701127 0.75 RAB9A (0.54) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL19446766 0.75 KMT2A (0.56) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL17148297 0.74 S1PR3 (0.45) RAB9ANPC1PAX8KLF5KMT2A
SCHEMBL15701043 0.73 FFAR2 (0.61) KMT2AMEN1LMNA

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 504/4885PAX8 2339/4885

“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.