SCHEMBL3393676

SCHEMBL3393676

Sc1nc(S)nc(N(Cc2ccccc2)Cc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CRHR1 P34998 2/20 0.38
AOC3 Q16853 1/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
MGLL Q99685 1/20 0.37
LMNA P02545 3/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2C P18825 2/20 0.37
ADRA1A P35348 2/20 0.37
HRH1 P35367 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KCNH2 Q12809 2/20 0.37
CYP2D6 P10635 2/20 0.37
KMT2A Q03164 2/20 0.37
TAAR1 Q96RJ0 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL11292840 0.76 MAPT (0.50) TSHRCYP2C19ALDH1A1AOC3CYP2D6
SCHEMBL8633855 0.76 TSHR (0.42) TSHRCYP2C19ALDH1A1CRHR1AOC3
SCHEMBL6723521 0.72 KCNH3 (0.54) ALDH1A1LMNAKMT2AL3MBTL1GAA
SCHEMBL11668680 0.72 GAA (0.50) TSHRCYP2C19ALDH1A1CRHR1AOC3
SCHEMBL11402745 0.68 ALDH1A1 (0.51) TSHRCYP2C19ALDH1A1CRHR1AOC3
SCHEMBL20844355 0.68 MAPT (0.63) TSHRCYP2C19CRHR1AOC3PDE4D
SCHEMBL8422447 0.67 CYP2C19 (0.53) TSHRCYP2C19ALDH1A1CRHR1AOC3
SCHEMBL2960872 0.66 CYP2C19 (0.78) TSHRCYP2C19ALDH1A1AOC3MGLL
SCHEMBL43183 0.66 TSHR (0.74) TSHRCYP2C19ALDH1A1AOC3LMNA
SCHEMBL7148219 0.66 TSHR (0.54) TSHRCYP2C19ALDH1A1AOC3MGLL

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-1394153-B1 THIOL COMPOUND DERIVATIVES, HARDENING COMPOSITIONS CONTAINING THESE DERIVATIVES AND MOLDED ARTICLES THEREOF UNIMATEC CO LTD (JP) 2010-12-29 EP disclosed
US-7812157-B2 Thiol compound derivative, curable composition containing the derivative, and molded product thereof UNIMATEC CO., LTD. (JP) 2010-10-12 US disclosed
US-20080227977-A1 Thiol compound derivative, curable composition containing the derivative, and molded product thereof UNIMATEC CO., LTD. 2008-09-18 US disclosed
US-7384995-B2 Thiol compound derivative, curable composition containing the derivative, and molded product thereof UNIMATEC CO., LTD. (JP) 2008-06-10 US disclosed
US-20070155868-A1 Thiol compound derivative, curable composition containing the derivative, and molded product thereof UNIMATEC CO., LTD. 2007-07-05 US disclosed
US-7199169-B2 Thiol compound derivative, hardening compositions containing these derivatives and molded articles thereof UNIMATEC CO., LTD. (JP) 2007-04-03 US disclosed
US-20040162368-A1 Thiol compound derivative, hardening compositions containing these derivatives and molded articles thereof UNIMATEC CO., LTD. (JP) 2004-08-19 US disclosed
EP-1394153-A1 THIOL COMPOUND DERIVATIVES, HARDENING COMPOSITIONS CONTAINING THESE DERIVATIVES AND MOLDED ARTICLES THEREOF Unimatec Co., Ltd. (JP) 2004-03-03 EP disclosed
US-4105627-A MERCAPTOHETEROCYCLIC RESIN STABILIZERS ARGUS CHEMICAL CORPORATION (US) 1978-08-08 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-20080227977-A1 Thiol compound derivative, curable composition containing the derivative, and molded product thereof TST, CTH, NACA TSHR 3849/4885CYP2C19 881/4885ALDH1A1 577/4885
US-20040162368-A1 Thiol compound derivative, hardening compositions containing these derivatives and molded articles thereof TST, NACA, CTH TSHR 4349/4885CYP2C19 1520/4885ALDH1A1 188/4885

“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.