SCHEMBL13248366

SCHEMBL13248366

CC(C)(C)OC(=O)Cn1nnc(-c2ccc(C(c3ccc(OCc4ccccn4)cc3)C(C)(C)C)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.45
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALOX5AP P20292 2/20 0.41

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
SCHEMBL13248365 0.90 MEN1 (0.56) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL2245019 0.85 NPC1 (0.47) KMT2ASMN1; SMN2TDP1NPC1LMNA
SCHEMBL2996834 0.83 ADAMTS4 (0.46) NPSR1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5660242 0.82 YAP1 (0.42) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL2246846 0.82 NPC1 (0.53) SMN1; SMN2KDM4ETDP1NPC1LMNA
SCHEMBL2246968 0.78 NPC1 (0.41) SMN1; SMN2TDP1NPC1LMNATP53
SCHEMBL2248325 0.76 NPC1 (0.39) SMN1; SMN2TDP1NPC1LMNATP53
SCHEMBL2246935 0.76 NPC1 (0.39) SMN1; SMN2TDP1NPC1LMNATP53
SCHEMBL5660237 0.76 ALOX5 (0.36) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL13248369 0.76 KDM4C (0.47) PARP10CYP2C9ALOX5AP

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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 — — 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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B NPSR1 1021/4885MEN1 4664/4885KMT2A 4281/4885

“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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