SCHEMBL3301439

SCHEMBL3301439

CC(C)(NC(=O)C1CCC(c2ccc(NC(=O)COc3ccccc3)cc2)CC1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MLYCD O95822 2/20 0.47
POLB P06746 2/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL14113481 1.00 NPC1 (0.48) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL3301443 1.00 NPC1 (0.48) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL3296853 0.91 ALDH1A1 (0.52) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL3296857 0.91 ALDH1A1 (0.52) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL14113694 0.91 ALDH1A1 (0.52) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL3307362 0.90 LMNA (0.48) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL3307357 0.90 LMNA (0.48) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL14113407 0.90 LMNA (0.48) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL3299613 0.86 NAMPT (0.49) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL3299610 0.86 NAMPT (0.49) NPC1RAB9AMAPTKMT2AALDH1A1

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-20100093733-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES PROSIDION LIMITED (GB) 2010-04-15 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-20100093733-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES CPS1, GOT2, GPR119 NPC1 630/4885RAB9A 1908/4885MAPT 1308/4885

“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.