SCHEMBL13159751

SCHEMBL13159751

O=C(CCl)c1cnc2ccccn12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
EPHB3 P54753 1/20 0.55
SLC27A1 Q6PCB7 1/20 0.50
HAT1 O14929 2/20 0.48
EP300 Q09472 2/20 0.48
ADORA2A P29274 3/20 0.47
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
KIT P10721 1/20 0.44
DDR1 Q08345 1/20 0.44
DDR2 Q16832 1/20 0.44
GGPS1 O95749 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
Hydrochloric Acid SCHEMBL2584852 0.98 NPC1 (0.57) NPC1RAB9AEPHB3SLC27A1HAT1
SCHEMBL12641490 0.84 NPC1 (0.55) NPC1RAB9AEPHB3SLC27A1HAT1
SCHEMBL12789990 0.84 RAB9A (0.55) NPC1RAB9AEPHB3SLC27A1HAT1
SCHEMBL6112768 0.84 NPC1 (0.55) NPC1RAB9AEPHB3SLC27A1HAT1
SCHEMBL20434869 0.84 NPC1 (0.55) NPC1RAB9AEPHB3SLC27A1HAT1
SCHEMBL13984885 0.84 NPC1 (0.55) NPC1RAB9AEPHB3SLC27A1HAT1
SCHEMBL14743372 0.81 NPC1 (0.63) NPC1RAB9AEPHB3SLC27A1HAT1
Hydrochloric Acid SCHEMBL14746375 0.80 NPC1 (0.61) NPC1RAB9AEPHB3SLC27A1HAT1
SCHEMBL496758 0.80 NPC1 (0.60) NPC1RAB9AEPHB3SLC27A1HAT1
Hydrochloric Acid SCHEMBL21834227 0.78 NPC1 (0.59) NPC1RAB9AEPHB3SLC27A1HAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110590785-B Aminothiazole compound, preparation method thereof and application of aminothiazole compound in resisting enterovirus 71 武汉大学 2021-02-02 CN disclosed
CN-110590785-A Aminothiazole compound, preparation method thereof and application of aminothiazole compound in resisting enterovirus 71 武汉大学 2019-12-20 CN disclosed
EP-1418909-B1 2-AMINO-4, 5-TRISUBSTITUTED THIAzOLYL DERIVATIVES AND THEIR USE AGAINST AUTOIMMUNE DISEASES JANSSEN PHARMACEUTICA NV (BE) 2013-02-20 EP disclosed
US-7803823-B2 2-amino-4,5-trisubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA NV (BE) 2010-09-28 US disclosed
US-7803823-B2 2-amino-4,5-trisubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA NV (BE) 2010-09-28 US disclosed
US-20070203189-A1 2-Amino-4,5-Trisubstituted Thiazolyl Derivatives LOVE CHRISTOPHER J 2007-08-30 US disclosed
US-20070203189-A1 2-Amino-4,5-Trisubstituted Thiazolyl Derivatives LOVE CHRISTOPHER J 2007-08-30 US disclosed
US-7232838-B2 2-amino-4,5-trisubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-19 US disclosed
US-7232838-B2 2-amino-4,5-trisubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-19 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 (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-20070203189-A1 2-Amino-4,5-Trisubstituted Thiazolyl Derivatives IFNG, IL15, IL5 NPC1 1283/4885RAB9A 3927/4885EPHB3 4633/4885

“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.