SCHEMBL1773056

SCHEMBL1773056

N#Cc1ccc(Cc2ccc(Br)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.61
▸ MAOA P21397 1/20 0.57
▸ LOXL2 Q9Y4K0 2/20 0.54
▸ CYP2A6 P11509 2/20 0.52
▸ SAE1 Q9UBE0 1/20 0.52
▸ UBA2 Q9UBT2 1/20 0.52
▸ CYP19A1 P11511 2/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.46
▸ IDO1 P14902 3/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ KCNJ1 P48048 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA3 P07451 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 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
SCHEMBL1344068 0.88 LOXL2 (0.65) MAOBMAOALOXL2CYP2A6SAE1
SCHEMBL154636 0.85 — —
Water SCHEMBL27994834 0.85 MAOB (0.73) MAOBMAOALOXL2CYP2A6CYP19A1
Hydrochloric Acid SCHEMBL30722972 0.83 MAOB (0.70) MAOBMAOALOXL2CYP2A6CYP19A1
SCHEMBL14656590 0.83 MAOB (0.70) MAOBMAOALOXL2CYP2A6CYP19A1
SCHEMBL6827721 0.83 MAOB (0.70) MAOBMAOALOXL2CYP2A6CYP19A1
SCHEMBL15026004 0.83 MAOB (0.58) MAOBMAOALOXL2CYP2A6CYP19A1
SCHEMBL14155434 0.81 LOXL2 (0.58) LOXL2CYP2A6SAE1UBA2CYP19A1
SCHEMBL16848648 0.81 LOXL2 (0.58) LOXL2CYP2A6SAE1UBA2CYP19A1
SCHEMBL28862319 0.81 LOXL2 (0.47) MAOBMAOALOXL2CYP2A6SAE1

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
WO-2024008909-A1 INHIBITORS OF CORONAVIRUS JANSSEN PHARMACEUTICA NV (BE) 2024-01-11 — — WO disclosed
US-20160222293-A1 MESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-08-04 — — US disclosed
CN-102066337-A 5-hydroxypyrimidine-4-carboxamide compounds DAIICHI SANKYO CO LTD 2011-05-18 — — CN disclosed
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 — — US 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-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND EPOR, CBR1, CBR3 MAOB 814/4885MAOA 1367/4885LOXL2 2142/4885

“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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