SCHEMBL5802833

SCHEMBL5802833

c1ccc2sc(N(C3=NCCN3)c3cc4ccccc4s3)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NISCH Q9Y2I1 9/20 0.40
PTGIR P43119 1/20 0.37
CYP1A2 P05177 4/20 0.37
KDM4E B2RXH2 4/20 0.37
CYP2D6 P10635 4/20 0.36
NFKB1 P19838 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ADRA2A P08913 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HPGD P15428 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TSHR P16473 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
SCHEMBL562867 0.72 NISCH (0.53) LMNANISCHCYP1A2KDM4ECYP2D6
SCHEMBL28480648 0.70 BCL2L1 (0.44)
SCHEMBL10780313 0.69 TAAR1 (0.55) LMNANISCHCYP1A2KDM4ECYP2D6
Hydrochloric Acid SCHEMBL8196151 0.68 NISCH (0.54) LMNANISCHCYP1A2KDM4ECYP2D6
SCHEMBL17517242 0.66 GRM5 (0.37) NPC1RAB9ASMN1; SMN2CYP1A2ALDH1A1
SCHEMBL1254282 0.65 CYP2A6 (0.44)
SCHEMBL24368430 0.65 APP (0.41)
SCHEMBL16359813 0.65 NQO1 (0.40) HSD17B10ALDH1A1
SCHEMBL22213467 0.65 OPRM1 (0.38)
SCHEMBL9493033 0.64 BCL2L1 (0.47) LMNAKDM4ECYP2D6ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656350-A2 THIOPHENYLAMINOIMIDAZOLINES AS PROSTAGLANDIN I2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP claimed
US-20050020648-A1 Thiophenylaminoimidazolines as IP antagonists ROCHE PALO ALTO LLC 2005-01-27 US claimed
WO-2005005394-A2 THIOPHENYLAMINOIMIDAZOLINES AS PROSTAGLANDIN I2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-01-20 WO claimed
US-7078401-B2 Thiophenylaminoimidazolines as IP antagonists ROCHE PALO ALTO LLC (US) 2006-07-18 US disclosed
EP-1656350-A2 THIOPHENYLAMINOIMIDAZOLINES AS PROSTAGLANDIN I2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
WO-2005005394-A2 THIOPHENYLAMINOIMIDAZOLINES AS PROSTAGLANDIN I2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-01-20 WO 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-20050020648-A1 Thiophenylaminoimidazolines as IP antagonists TBXA2R, MRGPRX2, MRGPRX1 LMNA 4165/4885NPC1 1392/4885RAB9A 2108/4885

“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.