SCHEMBL14950045

SCHEMBL14950045

CN(Cc1ccccc1)C(=O)I

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.66
▸ RAB9A P51151 3/20 0.66
▸ CA12 O43570 2/20 0.66
▸ CA9 Q16790 2/20 0.66
▸ KMT2A Q03164 4/20 0.59
▸ MEN1 O00255 2/20 0.58
▸ HPGD P15428 2/20 0.56
▸ RIPK1 Q13546 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ MGLL Q99685 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ TSHR P16473 1/20 0.52
▸ POLB P06746 1/20 0.51

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
SCHEMBL180384 0.85 NPC1 (0.73) NPC1RAB9ACA12CA9KMT2A
SCHEMBL3095761 0.83 NPC1 (0.70) NPC1RAB9ACA12CA9KMT2A
Hydrochloric Acid SCHEMBL11786759 0.83 NPC1 (0.70) NPC1RAB9ACA12CA9KMT2A
SCHEMBL544271 0.82 NPC1 (0.75) NPC1RAB9ACA12CA9KMT2A
SCHEMBL967363 0.81 NPC1 (0.68) NPC1RAB9ACA12CA9KMT2A
SCHEMBL425164 0.81 NPC1 (0.68) NPC1RAB9ACA12CA9KMT2A
SCHEMBL21592416 0.80 KMT2A (0.49) NPC1RAB9ACA12CA9KMT2A
SCHEMBL4939224 0.80 RAB9A (0.72) NPC1RAB9ACA12CA9KMT2A
SCHEMBL13134912 0.79 NPC1 (0.66) NPC1RAB9ACA12CA9KMT2A
SCHEMBL3369887 0.79 NPC1 (0.66) NPC1RAB9ACA12CA9KMT2A

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-20130121953-A1 COMPOSITIONS MICRODERMIS CORPORATION (US) 2013-05-16 — — 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-20130121953-A1 COMPOSITIONS POLE3, POLR1C, SSTR3 NPC1 2610/4885RAB9A 312/4885CA12 669/4885

“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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