SCHEMBL244682

SCHEMBL244682

CC(C)(C)c1cc(CN)n[nH]1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ STK25 O00506 2/20 0.32
▸ KDM5B Q9UGL1 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MITF O75030 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ MAPK14 Q16539 1/20 0.30

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
SCHEMBL12298687 0.81 STK25 (0.35) STK25NPC1RAB9ASMN1; SMN2GFER
Hydrochloric Acid SCHEMBL23120669 0.79 LOXL2 (0.39) SMN1; SMN2HPGDTP53
SCHEMBL5444047 0.79 STK25 (0.35) STK25NPC1RAB9ASMN1; SMN2GFER
Hydrochloric Acid SCHEMBL5444548 0.78 MAPK14 (0.32) STK25NPC1RAB9ASMN1; SMN2GFER
SCHEMBL1205806 0.76 ATM (0.34) STK25KDM5BATMTSHR
SCHEMBL5451411 0.75 LMNA (0.37) STK25ATMHPGDALDH1A1
SCHEMBL1206052 0.75 STK25 (0.43) STK25NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL923978 0.71 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2GFERATM
SCHEMBL10065610 0.70 GFER (0.37) STK25KDM5BNPC1RAB9ASMN1; SMN2
SCHEMBL13196200 0.70 STK25 (0.34) STK25

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 — — US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 — — US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 — — US disclosed
US-20100233116-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2010-09-16 — — 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 (2 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-20100233116-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 STK25 3719/4885KDM5B 505/4885NPC1 242/4885
US-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 STK25 3314/4885KDM5B 779/4885NPC1 228/4885

“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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