SCHEMBL18070331

SCHEMBL18070331

CCCCOc1ccc2c3nc4ccc(N(CC)CC)cc4oc-3cc(=N)c2c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCP2 P22307 1/20 0.65
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
GPR84 Q9NQS5 10/20 0.45
CA9 Q16790 1/20 0.37
APP P05067 2/20 0.36
F2RL3 Q96RI0 1/20 0.36
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 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
SCHEMBL18070239 0.83 MEN1 (0.62) SCP2MEN1NPC1POLBRAB9A
SCHEMBL16696324 0.82 MEN1 (0.61) SCP2MEN1NPC1POLBRAB9A
Nile Blue SCHEMBL29356294 0.82 MEN1 (0.77) SCP2MEN1NPC1POLBRAB9A
Nile Blue SCHEMBL12393690 0.82 MEN1 (0.77) SCP2MEN1NPC1POLBRAB9A
SCHEMBL62370 0.80 SCP2 (0.77) SCP2MEN1NPC1POLBRAB9A
SCHEMBL14267415 0.79 SCP2 (0.56) SCP2MEN1NPC1POLBRAB9A
SCHEMBL19646592 0.79 SCP2 (0.77) SCP2MEN1NPC1POLBRAB9A
SCHEMBL14267417 0.79 SCP2 (1.00) SCP2MEN1NPC1POLBRAB9A
SCHEMBL23733292 0.78 MEN1 (0.58) SCP2MEN1NPC1POLBRAB9A
SCHEMBL12393695 0.78 MEN1 (0.59) SCP2MEN1NPC1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20160263249-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF CD68, MSR1, CD47 SCP2 2344/4885MEN1 498/4885NPC1 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.