SCHEMBL1801245

SCHEMBL1801245

Nc1ncnn1-c1nc2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.49
▸ NPC1 O15118 7/20 0.49
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ MAPT P10636 5/20 0.49
▸ TP53 P04637 4/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ GLA P06280 2/20 0.49
▸ PAX8 Q06710 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ CCR6 P51684 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.47
▸ MEN1 O00255 4/20 0.47

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
SCHEMBL17437468 0.81 RAB9A (0.35) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL25429336 0.72 SMN1; SMN2 (0.56) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL9554794 0.69 BCHE (0.54) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL12779078 0.69 BACE1 (0.63) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL18321301 0.69 EGLN1 (0.62) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL15246754 0.68 RAB9A (0.61) RAB9ANPC1SMN1; SMN2MAPTTP53
Hydrochloric Acid SCHEMBL18321261 0.68 EGLN1 (0.60) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL3389271 0.67 BCHE (0.56) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL20040367 0.67 AURKA (0.69) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL861076 0.67 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2MAPTTP53

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-7951957-B2 Substituted benzimidazoles and their use for inducing apoptosis BASILEA PHARMACEUTICA AG (CH) 2011-05-31 — — US disclosed
EP-1723138-B1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE FOR INDUCING APOPTOSIS BASILEA PHARMACEUTICA AG (CH) 2010-07-14 — — EP disclosed
US-20080287681-A1 Substituted Benzimidazoles and their Use for Inducing Apoptosis EBERLE MARTIN 2008-11-20 — — US disclosed
US-7423157-B2 Substituted benzimidazoles and their use for inducing apoptosis BASILEA PHARMACEUTICA AG (CH) 2008-09-09 — — US disclosed
US-20070167505-A1 Substituted benzimidazoles and their use for inducing apoptosis BASILEA PHARMACEUTICA AG 2007-07-19 — — US disclosed
US-20070066670-A1 Substituted benzimidazoles and their use for inducing apoptosis BASILEA PHARMACEUTICA AG 2007-03-22 — — US disclosed
EP-1723138-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE FOR INDUCING APOPTOSIS Basilea Pharmaceutica AG (CH) 2006-11-22 — — EP disclosed
WO-2005077939-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE FOR INDUCING APOPTOSIS BASILEA PHARMACEUTICA AG (CH) 2005-08-25 — — 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 (3 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-20070167505-A1 Substituted benzimidazoles and their use for inducing apoptosis BAX, BCL2, BAD RAB9A 4170/4885NPC1 3798/4885SMN1; SMN2 2693/4885
US-20070066670-A1 Substituted benzimidazoles and their use for inducing apoptosis BAX, BCL2, BAD RAB9A 4170/4885NPC1 3798/4885SMN1; SMN2 2693/4885
US-20080287681-A1 Substituted Benzimidazoles and their Use for Inducing Apoptosis BAX, BCL2, BAD RAB9A 4170/4885NPC1 3798/4885SMN1; SMN2 2693/4885

“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.

Send feedback