SCHEMBL6600374

SCHEMBL6600374

O=c1cc(NC(CNC(Cc2ccccc2)c2c[nH]c3ccccc23)C2CCCCC2)[nH]c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 2/20 0.34
ALOX15 P16050 1/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GLA P06280 1/20 0.34
NMBR P28336 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
VDR P11473 1/20 0.33
TACR1 P25103 1/20 0.32
P2RX7 Q99572 2/20 0.32
MDM2 Q00987 1/20 0.32
ADRB3 P13945 1/20 0.32
PRKCB P05771 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL5669121 0.78 MARS1 (0.37) ALDH1A1KMT2AMAPK1ALOX15MEN1
SCHEMBL6600371 0.78 MARS1 (0.35) TACR1
SCHEMBL6606280 0.78 MARS1 (0.37) LMNAHTTKMT2AMAPK1MEN1
SCHEMBL6621452 0.76 SLC2A1 (0.39) ALDH1A1LMNAKMT2AMAPK1MEN1
Hydrochloric Acid SCHEMBL6692505 0.74 ALDH1A1 (0.43) ALDH1A1LMNAKMT2AMAPK1ALOX15
SCHEMBL5668923 0.70 MARS1 (0.35)
SCHEMBL5668974 0.68 FFAR1 (0.38)
Hydrochloric Acid SCHEMBL6600313 0.64 SLC2A1 (0.39) ALDH1A1LMNAKMT2AALOX15MEN1
SCHEMBL22922689 0.62 GPR84 (0.53) ALDH1A1LMNAHTTKMT2AMAPK1
SCHEMBL29871975 0.62 GPR84 (0.53) ALDH1A1LMNAHTTKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040053963-A1 Urotensin-II receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-03-18 US claimed
EP-1351687-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-01-21 EP claimed
EP-1351687-A2 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-15 EP claimed
WO-2002047456-A2 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-06-20 WO claimed
US-20040053963-A1 Urotensin-II receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-03-18 US disclosed
EP-1351687-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-01-21 EP disclosed
EP-1351687-A2 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-15 EP disclosed
WO-2002047456-A2 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-06-20 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-20040053963-A1 Urotensin-II receptor antagonists UTS2R, NTSR2, TMPRSS2 ALDH1A1 4513/4885LMNA 4236/4885HTT 2255/4885

“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.