SCHEMBL13490707

SCHEMBL13490707

O=C(N[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)C1)c1n[nH]c2c1CCCCCC2

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
RIPK1 Q13546 3/20 0.43
HTR2B P41595 1/20 0.42
USP30 Q70CQ3 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
GID4 Q8IVV7 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
DPP4 P27487 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL3224147 0.95 NPC1 (0.51) NPC1RAB9ARIPK1HTR2BUSP30
SCHEMBL14192818 0.86 NPC1 (0.50) NPC1RAB9ARIPK1
SCHEMBL3218426 0.86 NPC1 (0.50) NPC1RAB9ARIPK1
SCHEMBL13490753 0.85 NPC1 (0.48) NPC1RAB9ARIPK1
Hydrochloric Acid SCHEMBL3223688 0.84 NPC1 (0.48) NPC1RAB9ARIPK1
SCHEMBL13490693 0.84 NPC1 (0.64) NPC1RAB9AUSP30SMN1; SMN2GID4
SCHEMBL13490493 0.84 NPC1 (0.64) NPC1RAB9AUSP30SMN1; SMN2GID4
Trifluoroacetic Acid SCHEMBL3207659 0.79 NPC1 (0.57) NPC1RAB9AUSP30SMN1; SMN2GID4
Trifluoroacetic Acid SCHEMBL3223498 0.79 NPC1 (0.57) NPC1RAB9AUSP30SMN1; SMN2GID4
SCHEMBL13490630 0.79 SMYD3 (0.56) NPC1RAB9AHTR2BUSP30SMN1; SMN2

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
WO-2008075196-A1 BENZIMIDAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-06-26 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-20100029615-A1 BENZIMIDAZOLE DERIVATIVES ACIN1, HAT1, CCNE1 NPC1 3250/4885RAB9A 1662/4885RIPK1 4180/4885

“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.