SCHEMBL1981971

SCHEMBL1981971

O=C(O)NCCNc1nc2ccccc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.62
RAB9A P51151 9/20 0.62
GLS O94925 1/20 0.60
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 7/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CSNK1D P48730 5/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
HPGD P15428 2/20 0.55
MAPK1 P28482 1/20 0.55
ADORA1 P30542 1/20 0.54
DYRK1A Q13627 1/20 0.54
MAPT P10636 3/20 0.54
GAA P10253 2/20 0.54
CYP1A2 P05177 2/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL25056995 0.87 ADORA1 (0.64) NPC1RAB9AGLSPOLBSMN1; SMN2
SCHEMBL20964588 0.85 NPC1 (0.59) NPC1RAB9AGLSPOLBSMN1; SMN2
SCHEMBL17234165 0.84 POLB (0.68) NPC1RAB9AGLSPOLBSMN1; SMN2
SCHEMBL30920002 0.84 POLB (0.68) NPC1RAB9AGLSPOLBSMN1; SMN2
SCHEMBL4458535 0.81 POLB (0.64) NPC1RAB9APOLBSMN1; SMN2MEN1
SCHEMBL25402093 0.81 RAB9A (0.58) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL1981436 0.80 BCHE (0.58) NPC1RAB9AGLSPOLBSMN1; SMN2
SCHEMBL6640386 0.80 POLB (0.62) NPC1RAB9APOLBSMN1; SMN2MEN1
SCHEMBL11207220 0.80 NPC1 (0.67) NPC1RAB9APOLBSMN1; SMN2MEN1
SCHEMBL1822190 0.79 NPC1 (0.58) NPC1RAB9AGLSPOLBSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513068-B1 SUBSTITUTED BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-11 EP disclosed
US-8481547-B2 Substituted benzothiazole and benzoxazole derivatives useful as inhibitors of DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2013-07-09 US disclosed
EP-2513068-A1 SUBSTITUTED BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 Janssen Pharmaceutica, N.V. (BE) 2012-10-24 EP disclosed
US-20110152287-A1 SUBSTITUTED BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 US disclosed
WO-2011075631-A1 SUBSTITUTED BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 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-20110152287-A1 SUBSTITUTED BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 DPP4, DPP7, DPP3 NPC1 500/4885RAB9A 3547/4885GLS 121/4885

“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.