SCHEMBL12045147

SCHEMBL12045147

CCC(C)(C)c1ccc(C(C)(C)O)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
CASP3 P42574 1/20 0.34
ATM Q13315 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALOX5AP P20292 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CNR2 P34972 2/20 0.33
PTPN1 P18031 1/20 0.33
HDAC1 Q13547 1/20 0.33
MEN1 O00255 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
SCHEMBL17433153 0.86 NPC1 (0.39) NPC1RAB9AMAPTMAPK1SMN1; SMN2
SCHEMBL20932948 0.86 CNR2 (0.36) NR1H2NR1H3ALOX5APPDE10ACNR2
SCHEMBL13751317 0.85 NPC1 (0.38) NPC1RAB9AMAPTMAPK1SMN1; SMN2
SCHEMBL19388193 0.81 TRPV4 (0.47) NPC1RAB9AMAPTNR1H2NR1H3
SCHEMBL2733258 0.80 LMNA (0.39) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL24397795 0.77 KMT2A (0.46) RAB9AMAPTNR1H2NR1H3SMN1; SMN2
SCHEMBL18745377 0.77 NPC1 (0.38) NPC1RAB9AMAPTMAPK1SMN1; SMN2
SCHEMBL15499726 0.77 LOXL2 (0.36) NPC1RAB9AMAPTMAPK1SMN1; SMN2
SCHEMBL12295857 0.75 NPC1 (0.39) NPC1RAB9AMAPTMAPK1SMN1; SMN2
SCHEMBL18869960 0.74 HPGD (0.42) NPC1RAB9ANR1H2NR1H3MAPK1

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-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 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-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, LCK NPC1 3233/4885RAB9A 3665/4885MAPT 4467/4885

“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.