SCHEMBL4152542

SCHEMBL4152542

N=C(N)c1cccc(F)c1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 7/20 0.51
▸ MAOA P21397 2/20 0.51
▸ MAOB P27338 2/20 0.51
▸ HTR1A P08908 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ F10 P00742 2/20 0.46
▸ F9 P00740 1/20 0.42
▸ F2 P00734 5/20 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
SCHEMBL4143247 0.85 NPC1 (0.52) KDM1AMAOAMAOBHTR1ASLC6A2
Hydrochloric Acid SCHEMBL5743216 0.82 F2 (0.52) F10F9F2
SCHEMBL4153049 0.81 NPC1 (0.55) KDM1AMAOAMAOBHTR1ASLC6A2
SCHEMBL26942219 0.80 KDM1A (0.61) KDM1AMAOAMAOBHTR1ASLC6A2
SCHEMBL4145578 0.78 ALDH1A1 (0.58) KDM1AMAOAMAOBHTR1ASLC6A2
Hydrochloric Acid SCHEMBL28517934 0.77 KDM1A (0.40) KDM1AMAOAMAOBF10F2
SCHEMBL5313068 0.77 NPC1 (0.50) KDM1AMAOAMAOBHTR1ASLC6A2
Hydrochloric Acid SCHEMBL28326085 0.76 MAOB (0.43) MAOBF10F9F2
SCHEMBL9183339 0.76 F10 (0.45) KDM1ANPC1F10F9F2
SCHEMBL3407002 0.76 KDM1A (0.57) KDM1AMAOAMAOBHTR1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 — — US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 — — US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 — — US disclosed
EP-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 — — EP disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 — — 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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB KDM1A 4865/4885MAOA 3846/4885MAOB 2740/4885

“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.

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