SCHEMBL4083317

SCHEMBL4083317

CC(C)Oc1ccc(-c2cc(C(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)no2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.52
RAB9A P51151 8/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HDAC4 P56524 2/20 0.49
MLLT3 P42568 1/20 0.48
MLLT1 Q03111 1/20 0.48
USP30 Q70CQ3 3/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
SCD5 Q86SK9 1/20 0.46
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL13901932 0.83 NPC1 (0.60) NPC1RAB9AMEN1KMT2AMLLT3
SCHEMBL4094398 0.77 ROCK2 (0.57) NPC1RAB9AMEN1KMT2AHDAC4
SCHEMBL13901924 0.76 MAP4K4 (0.53) NPC1RAB9AMEN1KMT2AMLLT3
SCHEMBL21536314 0.76 RAB9A (0.64) NPC1RAB9AMEN1KMT2AHDAC4
SCHEMBL13962517 0.74 HDAC4 (0.42) NPC1RAB9AMEN1KMT2AHDAC4
SCHEMBL4099113 0.74 MAPT (0.49) NPC1RAB9AMEN1KMT2AHDAC4
SCHEMBL4099115 0.74 MAPT (0.49) NPC1RAB9AMEN1KMT2AHDAC4
SCHEMBL3931661 0.73 HDAC6 (0.53) NPC1RAB9AMEN1KMT2AHDAC4
SCHEMBL13901891 0.73 MAPT (0.56) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL3940368 0.72 KMO (0.61) NPC1RAB9AALDH1A1MAPTLMNA

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-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 NPC1 795/4885RAB9A 1496/4885MEN1 3233/4885

“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.