SCHEMBL16696324

SCHEMBL16696324

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.61
▸ KMT2A Q03164 9/20 0.61
▸ POLB P06746 2/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ SCP2 P22307 1/20 0.50
▸ ALDH1A1 P00352 10/20 0.42
▸ MAPT P10636 8/20 0.42
▸ GAA P10253 2/20 0.38
▸ GLA P06280 6/20 0.38
▸ CYP3A4 P08684 5/20 0.38
▸ L3MBTL1 Q9Y468 4/20 0.38
▸ HPGD P15428 4/20 0.38
▸ ATM Q13315 4/20 0.38
▸ CASP1 P29466 3/20 0.38
▸ CASP7 P55210 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ IGLV6-57 P01721 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HIF1A Q16665 1/20 0.38

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
SCHEMBL23733292 0.96 MEN1 (0.58) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL4664437 0.88 MEN1 (0.76) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL18070239 0.88 MEN1 (0.62) MEN1KMT2APOLBNPC1RAB9A
Nile Blue SCHEMBL12393690 0.86 MEN1 (0.77) MEN1KMT2APOLBNPC1RAB9A
Nile Blue SCHEMBL29356294 0.86 MEN1 (0.77) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL56792 0.86 MEN1 (0.76) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL12393695 0.84 MEN1 (0.59) MEN1KMT2APOLBNPC1RAB9A
Nile Blue SCHEMBL4051129 0.83 MEN1 (0.71) MEN1KMT2APOLBNPC1RAB9A
Nile Blue SCHEMBL4051132 0.83 MEN1 (0.71) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL18070331 0.82 SCP2 (0.65) MEN1KMT2APOLBNPC1RAB9A

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 8 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
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
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
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 (5 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 4524/4885POLB 3835/4885
US-11077210-B2 Near-infrared fluorescent contrast bioimaging agents and methods of use thereof CD68, MSR1, CD47 MEN1 498/4885KMT2A 4412/4885POLB 3422/4885
US-20220387631-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF CD68, MSR1, CD47 MEN1 498/4885KMT2A 4412/4885POLB 3422/4885
US-20160263249-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF CD68, MSR1, CD47 MEN1 498/4885KMT2A 4412/4885POLB 3422/4885
US-11001562-B2 Near-infrared fluorescent nerve contrast agents and methods of use thereof INA, NTRK1, NGF MEN1 676/4885KMT2A 4524/4885POLB 3835/4885

“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.

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