SCHEMBL15701037

SCHEMBL15701037

C[C@H](C(=O)Nc1ccc(NC(=O)c2cscn2)nc1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
ALDH1A1 P00352 5/20 0.48
TP53 P04637 5/20 0.48
FFAR2 O15552 4/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
NCOR2 Q9Y618 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALOX15 P16050 1/20 0.41
MAP3K5 Q99683 1/20 0.41
DEGS1 O15121 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL15701054 1.00 NPC1 (0.48) NPC1RAB9AALDH1A1TP53FFAR2
SCHEMBL15701233 1.00 NPC1 (0.48) NPC1RAB9AALDH1A1TP53FFAR2
SCHEMBL15701044 0.89 FFAR2 (0.61) FFAR2MEN1KMT2AHDAC3HDAC1
SCHEMBL15701043 0.89 FFAR2 (0.61) FFAR2MEN1KMT2AHDAC3HDAC1
SCHEMBL19446696 0.89 FFAR2 (0.61) FFAR2MEN1KMT2AHDAC3HDAC1
SCHEMBL17148404 0.85 RAB9A (0.42) NPC1RAB9AALDH1A1TP53FFAR2
SCHEMBL15701131 0.83 ALDH1A1 (0.43) NPC1RAB9AALDH1A1TP53FFAR2
SCHEMBL15701081 0.81 CYP2C9 (0.52) NPC1RAB9AALDH1A1TP53MEN1
SCHEMBL15701045 0.81 CYP2C9 (0.52) NPC1RAB9AALDH1A1TP53MEN1
SCHEMBL19446700 0.81 MEN1 (0.52) NPC1RAB9AALDH1A1TP53FFAR2

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
EP-2914592-B1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INT (DE) 2017-10-11 EP disclosed
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
WO-2014070979-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-08 WO 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 NPC1 504/4885RAB9A 1015/4885ALDH1A1 2565/4885

“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.