SCHEMBL23701691

SCHEMBL23701691

CCCNc1cc2oc3cc(=NCC)c(C)cc-3nc2cc1C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.31
MAPT P10636 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
TP53 P04637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL21678184 1.00 LATS1 (0.31) LATS1MAPTSMN1; SMN2TP53KDM4E
SCHEMBL21710819 0.92 LATS1 (0.30) LATS1MAPTSMN1; SMN2TP53
SCHEMBL23701686 0.92 LATS1 (0.30) LATS1MAPTSMN1; SMN2TP53
SCHEMBL14607913 0.91 NPC1 (0.32) MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL13428276 0.91 NPC1 (0.32) MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3676503 0.91 NPC1 (0.32) MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL21678081 0.87
SCHEMBL23701699 0.87
SCHEMBL23701687 0.81 PGK1 (0.32) MAPTSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL21678084 0.81 PGK1 (0.32) MAPTSMN1; SMN2NPC1ALDH1A1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11492359-B2 Near-infrared nerve-sparing fluorophores OREGON HEALTH & SCIENCE UNIVERSITY (US) 2022-11-08 US disclosed
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-10-14 US disclosed
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-08-05 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 (3 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-11492359-B2 Near-infrared nerve-sparing fluorophores NTRK1, PMP22, GAP43 LATS1 2336/4885MAPT 636/4885SMN1; SMN2 6/4885
US-20210236657-A1 NERVE-SPECIFIC FLUOROPHORE FORMULATIONS FOR DIRECT AND SYSTEMIC ADMINISTRATION PFAS, NPFFR2, NPFFR1 LATS1 2009/4885MAPT 1093/4885SMN1; SMN2 42/4885
US-20210317137-A1 NEAR-INFRARED NERVE-SPARING FLUOROPHORES NTRK1, NGF, SMN1; SMN2 LATS1 3464/4885MAPT 803/4885SMN1; SMN2 3/4885

“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.