SCHEMBL15224049

SCHEMBL15224049

CC(=O)c1ccc2[nH]c(NC(=O)c3ccc(N)cc3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.54
NPC1 O15118 13/20 0.54
PKM P14618 5/20 0.54
KLF5 Q13887 3/20 0.54
OPRK1 P41145 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
SMN1; SMN2 Q16637 6/20 0.52
ADORA2A P29274 2/20 0.52
MAOB P27338 1/20 0.52
TP53 P04637 2/20 0.51
KDM4E B2RXH2 2/20 0.51
SCD O00767 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 1/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL28642015 0.89 NPC1 (0.57) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL15224051 0.88 RAB9A (0.55) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL15223737 0.88 NPC1 (0.53) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL12392436 0.86 RAB9A (0.51) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL17488078 0.82 NPC1 (0.68) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL5744081 0.82 NPC1 (0.70) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL28642016 0.81 NPC1 (0.57) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL16562173 0.81 NPC1 (0.78) RAB9ANPC1PKMKLF5OPRK1
SCHEMBL15223742 0.81 MAPT (0.65) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL15223918 0.80 ADORA2A (0.47) RAB9ANPC1PKMMEN1KMT2A

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-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-11-23 US disclosed
US-9815784-B2 CC-1065 analogs and their conjugates SYNTARGA B.V. (NL) 2017-11-14 US disclosed
US-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-09-28 US disclosed
US-9629924-B2 Conjugates of CC-1065 analogs and bifunctional linkers SYNTARGA BV (NL) 2017-04-25 US disclosed
US-20130224227-A1 NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS BYONDIS B.V. (NL) 2013-08-29 US disclosed
US-20110207767-A1 Novel cc-1065 Analogs and Their Conjugates BYONDIS B.V. (NL) 2011-08-25 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 (4 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-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L RAB9A 4266/4885NPC1 4105/4885PKM 3785/4885
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L RAB9A 4266/4885NPC1 4105/4885PKM 3785/4885
US-20110207767-A1 Novel cc-1065 Analogs and Their Conjugates PCNA, CDC5L, TOP1 RAB9A 3318/4885NPC1 3077/4885PKM 3621/4885
US-20130224227-A1 NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS PCNA, DCLRE1A, CDC5L RAB9A 4266/4885NPC1 4105/4885PKM 3785/4885

“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.