SCHEMBL4099414

SCHEMBL4099414

Cc1cc(C=O)nn1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.33
KCNJ1 P48048 1/20 0.33
HTR2A P28223 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
POLB P06746 1/20 0.30
PKM P14618 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
SCHEMBL6175438 0.76 CACNA1H (0.38) GAA
SCHEMBL3902187 0.75 RAB9A (0.35) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL4255356 0.74 P2RY6 (0.40) NPC1RAB9AALDH1A1ATML3MBTL1
SCHEMBL4251602 0.73 GAA (0.33) GAA
SCHEMBL1043577 0.72
SCHEMBL17259215 0.72 P2RY6 (0.47) NPC1RAB9AHTR2AALDH1A1ATM
SCHEMBL4248944 0.72 GAA (0.30) GAA
SCHEMBL2733622 0.72 ALDH1A1 (0.41) NPC1RAB9AGAAALDH1A1ATM
SCHEMBL4252489 0.70 P2RY6 (0.40) ALDH1A1L3MBTL1
SCHEMBL17259299 0.70 KDM4E (0.37) NPC1RAB9AALDH1A1ATMPOLB

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
WO-2023130541-A1 2-PYRAZOLE-3-BENZIMIDAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州大学 2023-07-13 WO disclosed
US-20090093464-A1 Naphthalene Derivatives as Modulators of the Glucocorticoid Receptor SMITHKLINE BEECHMA CORPORATION (US) 2009-04-09 US disclosed
EP-1851204-A1 NAPHTHALENE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR SmithKline Beecham Corporation (US) 2007-11-07 EP disclosed
WO-2006091592-A1 NAPHTHALENE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2006-08-31 WO 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-20090093464-A1 Naphthalene Derivatives as Modulators of the Glucocorticoid Receptor NR3C1, NR3C2, NR5A1 NPC1 1063/4885RAB9A 4357/4885GAA 4480/4885

“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.