SCHEMBL9970029

SCHEMBL9970029

O=C(N[C@@H]1CCN(C2CCC2)[C@@H](c2nc3ccccc3[nH]2)C1)c1ccc2c(c1)OCCO2

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
NPC1 O15118 2/20 0.47
ACHE P22303 1/20 0.47
CHRNA7 P36544 1/20 0.46
NRP1 O14786 1/20 0.43
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC6A12 P48065 1/20 0.42
SLC6A13 Q9NSD5 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
Hydrochloric Acid SCHEMBL2066878 0.99 RAB9A (0.46) RAB9ANPC1ACHECHRNA7NRP1
SCHEMBL2067415 0.97 CHRNA7 (0.47) RAB9ANPC1ACHECHRNA7NRP1
Hydrochloric Acid SCHEMBL2068041 0.96 CHRNA7 (0.46) RAB9ANPC1ACHECHRNA7NRP1
SCHEMBL9970037 0.89 NPC1 (0.48) RAB9ANPC1ACHECHRNA7NRP1
SCHEMBL13962622 0.89 NPC1 (0.48) RAB9ANPC1ACHECHRNA7NRP1
SCHEMBL9970031 0.89 NPC1 (0.48) RAB9ANPC1ACHECHRNA7NRP1
SCHEMBL9970014 0.89 NPC1 (0.48) RAB9ANPC1ACHECHRNA7NRP1
Hydrochloric Acid SCHEMBL2067582 0.88 NPC1 (0.47) RAB9ANPC1ACHECHRNA7NRP1
Hydrochloric Acid SCHEMBL2066914 0.88 NPC1 (0.47) RAB9ANPC1ACHECHRNA7NRP1
Hydrochloric Acid SCHEMBL2067874 0.88 NPC1 (0.47) RAB9ANPC1ACHECHRNA7NRP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US disclosed
US-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US disclosed
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2012-06-21 US disclosed
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2012-06-21 US disclosed
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US disclosed
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 US disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 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 (2 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-20090005416-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 RAB9A 1426/4885NPC1 2444/4885ACHE 4298/4885
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 RAB9A 1426/4885NPC1 2444/4885ACHE 4298/4885

“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.