SCHEMBL16696323

SCHEMBL16696323

CCN(CC)c1ccc2nc3c4cccnc4c(=N)cc-3oc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.63
MEN1 O00255 5/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
POLB P06746 1/20 0.63
SCP2 P22307 1/20 0.47
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
GLA P06280 2/20 0.36
GPR84 Q9NQS5 7/20 0.36
MAPT P10636 5/20 0.36
HIF1A Q16665 2/20 0.36
SLC40A1 Q9NP59 1/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL29787355 0.88 MEN1 (0.74) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL28788676 0.88 MEN1 (0.74) KMT2AMEN1NPC1RAB9APOLB
Nile Blue SCHEMBL29356294 0.85 MEN1 (0.77) KMT2AMEN1NPC1RAB9APOLB
Nile Blue SCHEMBL12393690 0.85 MEN1 (0.77) KMT2AMEN1NPC1RAB9APOLB
Nile Blue SCHEMBL4051132 0.80 MEN1 (0.71) KMT2AMEN1NPC1RAB9APOLB
Nile Blue SCHEMBL4051129 0.80 MEN1 (0.71) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL998274 0.78 MEN1 (0.66) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL12925160 0.78 MEN1 (0.66) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL998276 0.78 MEN1 (0.66) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL18070239 0.78 MEN1 (0.62) KMT2AMEN1NPC1RAB9APOLB

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-20220387631-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-08 US disclosed
US-11077210-B2 Near-infrared fluorescent contrast bioimaging agents and methods of use thereof BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2021-08-03 US disclosed
US-11001562-B2 Near-infrared fluorescent nerve contrast agents and methods of use thereof BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2021-05-11 US disclosed
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
WO-2015066296-A9 NEAR-INFRARED FLUORESCENT NERVE CONTRAST AGENTS AND METHODS OF USE THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2015-07-09 WO disclosed
WO-2015066296-A1 NEAR-INFRARED FLUORESCENT NERVE CONTRAST AGENTS AND METHODS OF USE THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2015-05-07 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 (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-20160347727-A1 NEAR-INFRARED FLUORESCENT NERVE CONTRAST AGENTS AND METHODS OF USE THEREOF INA, NTRK1, NGF KMT2A 4524/4885MEN1 676/4885NPC1 713/4885
US-11077210-B2 Near-infrared fluorescent contrast bioimaging agents and methods of use thereof CD68, MSR1, CD47 KMT2A 4412/4885MEN1 498/4885NPC1 363/4885
US-20220387631-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF CD68, MSR1, CD47 KMT2A 4412/4885MEN1 498/4885NPC1 363/4885
US-11001562-B2 Near-infrared fluorescent nerve contrast agents and methods of use thereof INA, NTRK1, NGF KMT2A 4524/4885MEN1 676/4885NPC1 713/4885

“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.