SCHEMBL18070239

SCHEMBL18070239

CCN(CC)c1ccc2nc3c4ccc(C)cc4c(=N)cc-3oc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.62
KMT2A Q03164 8/20 0.62
NPC1 O15118 1/20 0.62
POLB P06746 1/20 0.62
RAB9A P51151 1/20 0.62
SCP2 P22307 1/20 0.48
ALDH1A1 P00352 11/20 0.41
L3MBTL1 Q9Y468 6/20 0.41
GLA P06280 5/20 0.41
HPGD P15428 4/20 0.41
CASP1 P29466 3/20 0.41
CASP7 P55210 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP3A4 P08684 3/20 0.41
ATM Q13315 3/20 0.41
MAPK1 P28482 2/20 0.41
IGLV6-57 P01721 2/20 0.41
HIF1A Q16665 2/20 0.41
KDM4E B2RXH2 9/20 0.39
MAPT P10636 9/20 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
SCHEMBL16696324 0.88 MEN1 (0.61) MEN1KMT2ANPC1POLBRAB9A
Nile Blue SCHEMBL12393690 0.87 MEN1 (0.77) MEN1KMT2ANPC1POLBRAB9A
Nile Blue SCHEMBL29356294 0.87 MEN1 (0.77) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL23733292 0.83 MEN1 (0.58) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL12393695 0.83 MEN1 (0.59) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL18070331 0.83 SCP2 (0.65) MEN1KMT2ANPC1POLBRAB9A
Nile Blue SCHEMBL4051132 0.81 MEN1 (0.71) MEN1KMT2ANPC1POLBRAB9A
Nile Blue SCHEMBL4051129 0.81 MEN1 (0.71) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL13470150 0.79 NPC1 (0.56) MEN1KMT2ANPC1POLBRAB9A
SCHEMBL16696323 0.78 KMT2A (0.63) MEN1KMT2ANPC1POLBRAB9A

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-20160347727-A1 NEAR-INFRARED FLUORESCENT NERVE CONTRAST AGENTS AND METHODS OF USE THEREOF BETH ISRAEL DEACONESS MEDICAL CT INC (US) 2016-12-01 US disclosed
US-20160263249-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2016-09-15 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 (2 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-20160347727-A1 NEAR-INFRARED FLUORESCENT NERVE CONTRAST AGENTS AND METHODS OF USE THEREOF INA, NTRK1, NGF MEN1 676/4885KMT2A 4524/4885NPC1 713/4885
US-20160263249-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF CD68, MSR1, CD47 MEN1 498/4885KMT2A 4412/4885NPC1 363/4885

“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.