SCHEMBL7050164

SCHEMBL7050164

N#Cc1ccc(CNCO)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.61
▸ CYP19A1 P11511 2/20 0.49
▸ CYP2A6 P11509 1/20 0.48
▸ CA12 O43570 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA4 P22748 1/20 0.47
▸ SCN8A Q9UQD0 1/20 0.45
▸ SAE1 Q9UBE0 1/20 0.44
▸ UBA2 Q9UBT2 1/20 0.44
▸ CACNA1G O43497 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL23879203 0.87 LOXL2 (0.71) LOXL2CYP19A1CYP2A6CA12CA2
SCHEMBL509459 0.84 LOXL2 (0.57) LOXL2CYP19A1CYP2A6CA12CA2
SCHEMBL29912750 0.83 LOXL2 (0.65) LOXL2CYP19A1CYP2A6CA12CA2
SCHEMBL5352838 0.81 LOXL2 (0.53) LOXL2CYP19A1CYP2A6CA12CA2
SCHEMBL11168780 0.80 LOXL2 (0.56) LOXL2CYP19A1CYP2A6CA12CA2
SCHEMBL29038910 0.80 SCN8A (0.54) LOXL2CYP19A1CA12CA2CA9
SCHEMBL6353289 0.79 LOXL2 (0.61) LOXL2CYP19A1CYP2A6CA12CA2
SCHEMBL1037055 0.79 LOXL2 (0.67) LOXL2CYP19A1CYP2A6CA12CA2
SCHEMBL8897410 0.79 LOXL2 (0.61) LOXL2CYP19A1CYP2A6CA12CA2
SCHEMBL6396768 0.78 LOXL2 (0.59) LOXL2CYP19A1CYP2A6CA12CA2

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-20200239452-A1 IDO/TDO Inhibitor CANBAS CO., LTD. (JP) 2020-07-30 — — US disclosed
EP-0773955-B1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE BASF AG (DE) 2003-04-16 — — EP disclosed
EP-0773955-A1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1997-05-21 — — EP disclosed
WO-1995035309-A1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1995-12-28 — — 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-20200239452-A1 IDO/TDO Inhibitor IDO1, IDO2, TDO2 LOXL2 3065/4885CYP19A1 54/4885CYP2A6 1301/4885

“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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