SCHEMBL10094383

SCHEMBL10094383

CC(C)c1ccccc1-c1cccc(C(=O)Nc2cccc(F)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.59
▸ RAB9A P51151 3/20 0.59
▸ HPGD P15428 1/20 0.59
▸ KCNK3 O14649 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ HTT P42858 1/20 0.55
▸ KCNK9 Q9NPC2 3/20 0.55
▸ NR1H4 Q96RI1 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ CASP3 P42574 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ SENP6 Q9GZR1 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TSHR P16473 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPK1 P28482 1/20 0.48

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
SCHEMBL10094390 0.82 SIRT2 (0.62) NPC1RAB9AKCNK3HTTKCNK9
SCHEMBL10094389 0.81 SIRT2 (0.65) NPC1RAB9AKCNK3MEN1KMT2A
SCHEMBL23479668 0.79 PDK2 (0.49) KCNK3KMT2AKCNK9NR1H4LMNA
SCHEMBL26356060 0.78 AKR1C3 (0.47) KCNK3KMT2AKCNK9LMNA
SCHEMBL29519480 0.77 ALOX5AP (0.47) HPGDKDM4ESMN1; SMN2TSHRMAPT
SCHEMBL13006376 0.77 ALOX5AP (0.47) HPGDKDM4ESMN1; SMN2TSHRMAPT
SCHEMBL3028770 0.77 NPC1 (0.68) NPC1RAB9AHPGDKCNK3MEN1
SCHEMBL10094388 0.76 SIRT2 (0.63) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL23447715 0.76 NPC1 (1.00) NPC1RAB9AHPGDKCNK3MEN1
SCHEMBL13101765 0.76 NPC1 (0.55) NPC1RAB9AKCNK3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 — — US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 — — 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 NPC1 660/4885RAB9A 2246/4885HPGD 3730/4885

“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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