SCHEMBL5788515

SCHEMBL5788515

N#Cc1ccc(Sc2ccc(Cl)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 1.00
MAOA P21397 11/20 1.00
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
NLRP3 Q96P20 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
HPGD P15428 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 2/20 0.41
CYP2A6 P11509 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41

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
SCHEMBL3394075 0.88 MAOB (0.81) MAOBMAOATSHRALDH1A1CYP2A6
Water SCHEMBL27942269 0.85 MAOA (0.73) MAOBMAOAMAPTLMNATSHR
SCHEMBL72752 0.85
Fluoride SCHEMBL27481173 0.83 MAOA (0.70) MAOBMAOAMAPTLMNATSHR
SCHEMBL9476350 0.80 MAOA (0.64) MAOBMAOAMAPTLMNATSHR
SCHEMBL9475224 0.80 MAOA (0.64) MAOBMAOAMAPTLMNATSHR
SCHEMBL481976 0.80 MAOA (0.64) MAOBMAOAMAPTLMNATSHR
SCHEMBL3041364 0.79 MAOA (0.65) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL2985023 0.79 MAOB (1.00) MAOBMAOAMAPTTSHRKDM4E
SCHEMBL4446050 0.78 MAOA (0.64) MAOBMAOAMAPTLMNATSHR

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 MAOB 2554/4885MAOA 2676/4885MAPT 4692/4885

“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.