SCHEMBL13428276

SCHEMBL13428276

CC/N=c1/cc2oc3cc(NCC)c(C)cc3nc-2cc1C

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
STAT1 P42224 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL14607913 1.00 NPC1 (0.32) NPC1MAPTSTAT1RAB9ASMN1; SMN2
SCHEMBL3676503 1.00 NPC1 (0.32) NPC1MAPTSTAT1RAB9ASMN1; SMN2
SCHEMBL23701691 0.91 LATS1 (0.31) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL21678184 0.91 LATS1 (0.31) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL21678084 0.90 PGK1 (0.32) NPC1MAPTSTAT1RAB9ASMN1; SMN2
SCHEMBL23701687 0.90 PGK1 (0.32) NPC1MAPTSTAT1RAB9ASMN1; SMN2
SCHEMBL21678192 0.90 NPC1 (0.31) NPC1MAPTSTAT1RAB9ASMN1; SMN2
SCHEMBL23701685 0.90 NPC1 (0.31) NPC1MAPTSTAT1RAB9ASMN1; SMN2
SCHEMBL23701699 0.89
SCHEMBL21678081 0.89

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 9 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
US-8766238-B2 Polymeric anions/cations MERCK PATENT GMBH (DE) 2014-07-01 US disclosed
US-20100059740-A1 POLYMERIC ANIONS/CATIONS MERCK PATENT GMBH (DE) 2010-03-11 US disclosed
WO-2008087031-A1 POLYMERIC ANIONS/CATIONS MERCK PATENT GMBH (DE) 2008-07-24 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 NPC1 713/4885MAPT 1900/4885STAT1 4467/4885
US-11077210-B2 Near-infrared fluorescent contrast bioimaging agents and methods of use thereof CD68, MSR1, CD47 NPC1 363/4885MAPT 3284/4885STAT1 2206/4885
US-20220387631-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF CD68, MSR1, CD47 NPC1 363/4885MAPT 3284/4885STAT1 2206/4885
US-20160263249-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF CD68, MSR1, CD47 NPC1 363/4885MAPT 3284/4885STAT1 2206/4885
US-11001562-B2 Near-infrared fluorescent nerve contrast agents and methods of use thereof INA, NTRK1, NGF NPC1 713/4885MAPT 1900/4885STAT1 4467/4885

“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.