SCHEMBL17711902

SCHEMBL17711902

COC(=O)c1cccc(C(N)=S)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
CYP1A2 P05177 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
GAA P10253 2/20 0.53
RECQL P46063 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL69653 0.87 MAPT (0.64) MAPTCYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL17276045 0.85 MAPT (0.55) MAPTCYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL18157886 0.80 KDM4E (0.46) MAPTCYP1A2CYP3A4KDM4ETSHR
SCHEMBL6180691 0.80 ALDH1A1 (0.50) MAPTCYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL29509427 0.79 KDM4E (0.68) MAPTCYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL1829272 0.79 MAPT (0.57) MAPTCYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL1500410 0.79 KDM4E (0.68) MAPTCYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL20963454 0.79 MAPT (0.50) MAPTCYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL28409913 0.79 MAPT (0.50) MAPTCYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL2162898 0.79 P2RX7 (0.64) MAPTCYP1A2SMN1; SMN2NPC1RAB9A

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
EP-3212642-B1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORGAMMAT JANSSEN PHARMACEUTICA NV (BE) 2019-10-30 EP disclosed
CN-108064224-A Amide-substituted thiazoles as modulators of Ror gamma t 詹森药业有限公司 2018-05-22 CN disclosed
US-9845319-B2 Amide substituted thiazoles as modulators of RORyt Janssen Pharmaceutiuca NV (BE) 2017-12-19 US disclosed
US-9845319-B2 Amide substituted thiazoles as modulators of RORyt Janssen Pharmaceutiuca NV (BE) 2017-12-19 US disclosed
US-9845319-B2 Amide substituted thiazoles as modulators of RORyt Janssen Pharmaceutiuca NV (BE) 2017-12-19 US disclosed
US-20160122335-A1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 US disclosed
US-20160122335-A1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 US disclosed
US-20160122335-A1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (US) 2016-05-05 US disclosed
US-20150152042-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY ACADIA PHARMACEUTICALS INC. 2015-06-04 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-20160122335-A1 AMIDE SUBSTITUTED THIAZOLES AS MODULATORS OF RORyt RORC, RORA, RORB MAPT 1992/4885CYP1A2 297/4885SMN1; SMN2 4167/4885
US-20150152042-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 MAPT 183/4885CYP1A2 1625/4885SMN1; SMN2 367/4885

“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.