SCHEMBL5236583

SCHEMBL5236583

CCCCOc1c(CNC(=O)O)n(C2CC2)c(=O)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
TSHR P16473 3/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR3E A5X5Y0 2/20 0.33
HTR3B O95264 2/20 0.33
HTR3A P46098 2/20 0.33
HTR3D Q70Z44 2/20 0.33
HTR3C Q8WXA8 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
POLB P06746 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL5238594 0.86 ALDH1A1 (0.34) THRATHRBHTR3EHTR3BHTR3A
SCHEMBL5234361 0.85 HSD17B10 (0.36) THRATHRBTSHRLMNASMN1; SMN2
SCHEMBL5234470 0.85 THRA (0.36) THRATHRBMEN1KMT2ASMN1; SMN2
SCHEMBL5230897 0.85 ALDH1A1 (0.35) THRATHRBTYRO3MERTKPOLB
SCHEMBL6106711 0.84 TYRO3 (0.34) THRATHRBTYRO3MERTKALDH1A1
SCHEMBL5234325 0.84 THRB (0.37) THRATHRBHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL5236689 0.83 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1HTT
SCHEMBL5234726 0.82 THRB (0.34) THRATHRBNPSR1MEN1KMT2A
SCHEMBL6108547 0.81 THRB (0.31) THRATHRBLMNASMN1; SMN2
SCHEMBL5235009 0.81 DPP4 (0.38) THRATHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 THRA 1886/4885THRB 1540/4885TSHR 2475/4885

“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.