SCHEMBL2108932

SCHEMBL2108932

O=[C]c1nc(-c2cccs2)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.53
RAB9A P51151 14/20 0.53
ATM Q13315 2/20 0.53
MCL1 Q07820 1/20 0.51
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
PKM P14618 2/20 0.49
SMN1; SMN2 Q16637 9/20 0.48
TP53 P04637 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
ALDH1A1 P00352 3/20 0.48
NPSR1 Q6W5P4 1/20 0.47
MIF P14174 1/20 0.46
LMNA P02545 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAPK1 P28482 3/20 0.46

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
SCHEMBL8360138 0.75 NPC1 (0.55) NPC1RAB9AATMMCL1CA2
SCHEMBL2108933 0.75 NPC1 (0.51) NPC1RAB9AATMMCL1CA2
SCHEMBL492763 0.73 SMN1; SMN2 (0.64) NPC1RAB9AATMMCL1CA2
SCHEMBL6652961 0.73 NR1H4 (0.57) NPC1RAB9AATMCA2CA9
SCHEMBL29518033 0.72 NPC1 (0.61) NPC1RAB9AATMMCL1CA2
SCHEMBL202064 0.71 RAB9A (0.61) NPC1RAB9AATMMCL1MAPT
SCHEMBL4439807 0.71 RAB9A (0.61) NPC1RAB9AATMMCL1MAPT
SCHEMBL8888284 0.71 MCL1 (0.65) NPC1RAB9AATMMCL1MAPT
SCHEMBL21611764 0.71 NPC1 (0.55) NPC1RAB9AATMMCL1CA2
SCHEMBL12434381 0.71 RAB9A (0.61) NPC1RAB9AATMMCL1MAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS COSTANZO MICHAEL J (US) 2012-06-28 US claimed
US-8158792-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US claimed
EP-2224803-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2010-09-08 EP claimed
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2009-06-25 US claimed
WO-2009067202-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-28 WO claimed
US-8536189-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 US disclosed
US-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS COSTANZO MICHAEL J (US) 2012-06-28 US disclosed
US-8158792-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
EP-2224803-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2010-09-08 EP disclosed
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2009-06-25 US disclosed
WO-2009067202-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-28 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 (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-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 NPC1 1407/4885RAB9A 2884/4885ATM 4017/4885
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors TPSAB1, TPSB2, TPSD1 NPC1 1407/4885RAB9A 2884/4885ATM 4017/4885

“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.