SCHEMBL13490408

SCHEMBL13490408

O=C(N[C@@H]1CCC[C@@H](c2nc3ccccc3[nH]2)C1)c1ccc2c(c1)OCCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
NPC1 O15118 5/20 0.54
NRP1 O14786 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL3219584 1.00 RAB9A (0.54) RAB9ANPC1NRP1TP53HPGD
SCHEMBL3223163 1.00 RAB9A (0.54) RAB9ANPC1NRP1TP53HPGD
SCHEMBL3206398 1.00 RAB9A (0.54) RAB9ANPC1NRP1TP53HPGD
Hydrochloric Acid SCHEMBL3213336 0.99 RAB9A (0.53) RAB9ANPC1NRP1TP53HPGD
Hydrochloric Acid SCHEMBL3206504 0.99 RAB9A (0.53) RAB9ANPC1NRP1TP53HPGD
Hydrochloric Acid SCHEMBL3218199 0.99 RAB9A (0.53) RAB9ANPC1NRP1TP53HPGD
SCHEMBL3199404 0.97 RAB9A (0.51) RAB9ANPC1NRP1TP53HPGD
SCHEMBL13490674 0.94 RAB9A (0.54) RAB9ANPC1TP53HPGDNFKB1
SCHEMBL13490392 0.94 RAB9A (0.54) RAB9ANPC1TP53HPGDNFKB1
Trifluoroacetic Acid SCHEMBL3222284 0.94 RAB9A (0.48) RAB9ANPC1NRP1TP53HPGD

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 2 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

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 RAB9A 1662/4885NPC1 3250/4885NRP1 2722/4885

“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.