SCHEMBL1985103

SCHEMBL1985103

O=C(O)NCCNc1nc2ccccc2o1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.52
RAB9A P51151 7/20 0.52
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
PKM P14618 3/20 0.50
ALDH1A1 P00352 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SCD O00767 1/20 0.50
HDAC6 Q9UBN7 2/20 0.48
TP53 P04637 1/20 0.48
CSNK1D P48730 1/20 0.47
ELANE P08246 5/20 0.46
CTSS P25774 2/20 0.45
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL25057028 0.87 NPC1 (0.50) NPC1RAB9AGAASMN1; SMN2PKM
SCHEMBL20964574 0.83 CTSS (0.49) NPC1RAB9AGAASMN1; SMN2PKM
SCHEMBL17763504 0.81 KCNH2 (0.55) GAAHDAC6TP53CTSSMEN1
SCHEMBL25402038 0.81 HDAC6 (0.50) NPC1RAB9AGAASMN1; SMN2HDAC6
SCHEMBL25401846 0.81 HDAC6 (0.42) GAASMN1; SMN2ALDH1A1HDAC6TP53
SCHEMBL1980682 0.80 BCHE (0.58) NPC1RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL8977438 0.80 NPC1 (0.56) NPC1RAB9AGAASMN1; SMN2PKM
SCHEMBL1990188 0.80 KDM4E (0.53) NPC1RAB9AGAASMN1; SMN2PKM
SCHEMBL1979283 0.79 CTSS (0.47) NPC1RAB9AGAASMN1; SMN2PKM
SCHEMBL25400444 0.78 ELANE (0.42) HDAC6ELANEMAPTKMT2A

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 3547/4885GAA 133/4885

“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.