SCHEMBL5789795

SCHEMBL5789795

COc1ccc(Sc2ccc(NC(=N)N)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 3/20 0.63
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TP53 P04637 2/20 0.45
ALOX15 P16050 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
IDO1 P14902 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.43
MTNR1A P48039 1/20 0.43

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
SCHEMBL1186050 0.89 NPC1 (0.59) NPC1RAB9ASMN1; SMN2PRSS1PRSS2
Hydrochloric Acid SCHEMBL3977693 0.88 NPC1 (0.57) NPC1RAB9ASMN1; SMN2PRSS1PRSS2
Bicarbonate SCHEMBL3975933 0.83 RAB9A (0.61) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL13017284 0.79 NPC1 (0.42) PTGIRNPC1RAB9ATP53HPGD
Nitric Acid SCHEMBL5354098 0.79 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL5791948 0.78 PTGIR (0.57) PTGIRNPC1RAB9ASMN1; SMN2TP53
SCHEMBL10926166 0.78 NPC1 (0.59) PTGIRNPC1RAB9ASMN1; SMN2TP53
SCHEMBL5788625 0.77 PTGIR (1.00) PTGIRPRSS1PRSS2PRSS3IDO1
SCHEMBL14599571 0.76 NQO2 (0.66) NPC1RAB9ASMN1; SMN2PRSS1PRSS2
SCHEMBL11644676 0.76 MTNR1A (0.59) PTGIRNPC1RAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20050020648-A1 Thiophenylaminoimidazolines as IP antagonists ROCHE PALO ALTO LLC 2005-01-27 US 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 PTGIR 15/4885NPC1 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.