SCHEMBL1933738

SCHEMBL1933738

O=C1CC(c2ccccn2)Oc2cc(Br)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.48
MAOB P27338 14/20 0.47
CYP19A1 P11511 5/20 0.47
MAOA P21397 1/20 0.47
PSMB5 P28074 1/20 0.47
KDM4E B2RXH2 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
YES1 P07947 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42

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
6-Bromo-2-(Pyridin-2-Yl)Chroman-4-One SCHEMBL1819409 0.90 AR (0.60) ARMAOBCYP19A1MAOAPSMB5
SCHEMBL1933329 0.81 MAOB (0.69) ARMAOBCYP19A1MAOAPSMB5
SCHEMBL6711965 0.81 MAOB (0.69) ARMAOBCYP19A1MAOAPSMB5
SCHEMBL7959576 0.77 AR (0.47) ARMAOBCYP19A1KDM4EADORA3
SCHEMBL17708932 0.76 MAOB (0.56) ARMAOBCYP19A1KDM4EADORA3
SCHEMBL1933116 0.74 ESR1 (0.40) KDM4EESR2
SCHEMBL1932303 0.74 AR (0.47) ARMAOBCYP19A1MAOAPSMB5
6-Bromo-2-(Pyridin-2-Yl)Chroman-4-One SCHEMBL1819498 0.73 AR (0.49) ARKDM4E
SCHEMBL1823966 0.72 AR (0.39) ARCYP19A1KDM4E
SCHEMBL17708729 0.72 CYP19A1 (0.61) MAOBCYP19A1

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-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls NOVARTIS AG (CH) 2012-11-15 US disclosed
EP-2504339-A1 BENZENE-FUSED 6-MEMBERED OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES OF BICYCLIC HETEROARYLS Novartis AG (CH) 2012-10-03 EP disclosed
CN-102712648-A Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls NOVARTIS AG 2012-10-03 CN disclosed
WO-2011064211-A1 BENZENE-FUSED 6-MEMBERED OXYGEN-CONTAINING HETEROCYCLIC DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2011-06-03 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-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls CYP1B1, CYP11B2, CCNI AR 363/4885MAOB 276/4885CYP19A1 51/4885

“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.