SCHEMBL9970015

SCHEMBL9970015

CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cn2)C[C@@H]1c1nc2ccccc2[nH]1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KCNH2 Q12809 1/20 0.40
DPP4 P27487 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CCR6 P51684 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
Hydrochloric Acid SCHEMBL2068136 0.99 USP30 (0.42) USP30NPC1RAB9AKCNH2DPP4
Glasdegib SCHEMBL29359708 0.89 EPHX1 (0.45) USP30NPC1RAB9AKCNH2POLB
Glasdegib SCHEMBL22104131 0.89 EPHX1 (0.45) USP30NPC1RAB9AKCNH2POLB
Glasdegib SCHEMBL27100349 0.89 EPHX1 (0.45) USP30NPC1RAB9AKCNH2POLB
Glasdegib SCHEMBL18184932 0.89 EPHX1 (0.45) USP30NPC1RAB9AKCNH2POLB
Glasdegib SCHEMBL24503991 0.89 EPHX1 (0.45) USP30NPC1RAB9AKCNH2POLB
Glasdegib SCHEMBL2068480 0.89 EPHX1 (0.45) USP30NPC1RAB9AKCNH2POLB
Glasdegib SCHEMBL29362720 0.88 EPHX1 (0.44) USP30NPC1RAB9AKCNH2POLB
Glasdegib SCHEMBL2068016 0.88 EPHX1 (0.44) USP30NPC1RAB9AKCNH2POLB
SCHEMBL2067401 0.85 CCNC (0.48) USP30NPC1RAB9A

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 6 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-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 USP30 4188/4885NPC1 2444/4885RAB9A 1426/4885
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 USP30 4188/4885NPC1 2444/4885RAB9A 1426/4885

“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.