SCHEMBL4058372

SCHEMBL4058372

c1csc(Cc2nc3ncc(-c4cc5ccccc5o4)cc3[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
CYP2C8 P10632 2/20 0.40
CYP2C9 P11712 2/20 0.40
KCNH2 Q12809 2/20 0.40
NDUFS2 O75306 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2C P18825 1/20 0.40
HTR2B P41595 1/20 0.40
HTR3A P46098 1/20 0.40
HTR6 P50406 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PNP P00491 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRA2A P08913 1/20 0.38
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL13607999 0.83 TSHR (0.47) TSHRLMNACYP2C8CYP2C9KCNH2
SCHEMBL4056967 0.82 SMN1; SMN2 (0.39) LMNACYP2C8CYP2C9KCNH2NDUFS2
SCHEMBL4051786 0.82 P2RY14 (0.43) LMNACYP2C8CYP2C9KCNH2NDUFS2
SCHEMBL4061552 0.82 NOS3 (0.41) TSHRLMNACYP2C8CYP2C9KCNH2
SCHEMBL4062519 0.81 TSHR (0.47) TSHRLMNACYP2C9PNPKDM4E
SCHEMBL4050911 0.81 ADRA2A (0.38) LMNACYP2C8CYP2C9KCNH2NDUFS2
SCHEMBL4063393 0.81 MKNK1 (0.39) LMNACYP2C8CYP2C9KCNH2NDUFS2
SCHEMBL4055039 0.81 KIT (0.43) LMNACYP2C8CYP2C9KCNH2NDUFS2
SCHEMBL4059176 0.79 ADRA2A (0.36) CYP2C8CYP2C9KCNH2NDUFS2CHRM2
SCHEMBL4051792 0.79 EGFR (0.37) CYP2C8CYP2C9KCNH2NDUFS2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B TSHR 1199/4885LMNA 2175/4885CYP2C8 781/4885

“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.