SCHEMBL15701016

SCHEMBL15701016

O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(NC(=O)c2cscn2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.53
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
ANO1 Q5XXA6 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PDE5A O76074 1/20 0.46
HSD17B10 Q99714 1/20 0.45
CSNK1D P48730 1/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL15701218 0.91 PSEN1 (0.53) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL15701080 0.88 NPC1 (0.54) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL15701124 0.83 NR2E1 (0.44) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL15701091 0.81 SMN1; SMN2 (0.56) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL19446766 0.81 KMT2A (0.56) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL15701108 0.81 PSEN1 (0.57) MEN1KMT2AMAPTCYP3A4CYP2C9
SCHEMBL15701013 0.81 CSNK1D (0.66) MEN1KMT2AMAPTCYP3A4CYP2C9
SCHEMBL15701127 0.81 RAB9A (0.54) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL15701088 0.80 CYP3A4 (0.52) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL15701081 0.80 CYP2C9 (0.52) MEN1KMT2ANPC1RAB9ACYP2C9

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
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-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
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 MEN1 534/4885KMT2A 617/4885MAPT 2425/4885

“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.