SCHEMBL3220567

SCHEMBL3220567

O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1ccc2c(c1)CCCO2

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOXO1 Q12778 1/20 0.56
ROCK2 O75116 1/20 0.45
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CHEK1 O14757 1/20 0.41
CXCR6 O00574 1/20 0.41
HTR2B P41595 2/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
USP30 Q70CQ3 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL14192845 1.00 FOXO1 (0.56) FOXO1ROCK2NPC1RAB9ACHEK1
SCHEMBL13490688 0.96 FOXO1 (0.51) FOXO1ROCK2NPC1RAB9ACHEK1
SCHEMBL3199404 0.90 RAB9A (0.51) FOXO1NPC1RAB9ACHEK1
Trifluoroacetic Acid SCHEMBL3211487 0.90 FOXO1 (0.46) FOXO1ROCK2CHEK1HTR2BHDAC3
SCHEMBL3206398 0.89 RAB9A (0.54) NPC1RAB9ACHEK1
SCHEMBL13490408 0.89 RAB9A (0.54) NPC1RAB9ACHEK1
SCHEMBL3219584 0.89 RAB9A (0.54) NPC1RAB9ACHEK1
SCHEMBL3223163 0.89 RAB9A (0.54) NPC1RAB9ACHEK1
Hydrochloric Acid SCHEMBL3206504 0.89 RAB9A (0.53) NPC1RAB9ACHEK1
Hydrochloric Acid SCHEMBL3213336 0.89 RAB9A (0.53) NPC1RAB9ACHEK1

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-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 US disclosed
US-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 US disclosed
US-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 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-20100029615-A1 BENZIMIDAZOLE DERIVATIVES ACIN1, HAT1, CCNE1 FOXO1 2257/4885ROCK2 2025/4885NPC1 3250/4885

“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.