SCHEMBL4364262

SCHEMBL4364262

CC(C)(C)c1ccc(-c2c[c]ccc2-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.39
GPR84 Q9NQS5 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRIN2C Q14957 1/20 0.35
DGAT1 O75907 1/20 0.35
S1PR1 P21453 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
TNF P01375 1/20 0.34
NOD1 Q9Y239 1/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP19A1 P11511 2/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL6880077 0.83 ALDH1A1 (0.41) KIF11NPC1LMNARAB9ASMN1; SMN2
SCHEMBL27629739 0.83 ALDH1A1 (0.41) KIF11NPC1LMNARAB9ASMN1; SMN2
SCHEMBL445102 0.83 ALDH1A1 (0.41) KIF11NPC1LMNARAB9ASMN1; SMN2
SCHEMBL618853 0.83 BACE1 (0.39) NPC1RAB9AHDAC6PTGS2
SCHEMBL4831352 0.82 KIF11 (0.68) KIF11NPC1RAB9ASMN1; SMN2DGAT1
SCHEMBL1898681 0.82 NPC1 (0.37) KIF11NPC1RAB9A
SCHEMBL4904785 0.81 KIF11 (0.48) KIF11GPR84NPC1LMNATP53
SCHEMBL6474583 0.79 BACE1 (0.36) HDAC6PTGS2
SCHEMBL3870533 0.79 BACE1 (0.36) HDAC6PTGS2
Hydrogen Sulfide SCHEMBL27571146 0.79 KIF11 (0.47) KIF11GPR84NPC1LMNATP53

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-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function LLOYD JOHN 2006-01-19 US disclosed
US-20050100787-A1 High density; stability; n-heterocyclic polymer or oligomer NEC CORPORATION (JP) 2005-05-12 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-20060014792-A1 Heterocyclo inhibitors of potassium channel function KCNJ2, KCNH2, KCNQ5 KIF11 1013/4885GPR84 3423/4885NPC1 989/4885

“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.