SCHEMBL20345758

SCHEMBL20345758

Cc1ncncc1-c1nc2cc(Cl)cnc2n1C1CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 16/20 0.60
▸ CYP11B2 P19099 16/20 0.60
▸ CYP3A4 P08684 4/20 0.47
▸ CYP1A2 P05177 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CYP19A1 P11511 1/20 0.45
▸ ALOX15 P16050 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
SCHEMBL20337731 0.84 CYP11B2 (0.63) CYP11B1CYP11B2CYP3A4CYP1A2ALDH1A1
SCHEMBL30777246 0.84 CYP11B2 (0.63) CYP11B1CYP11B2CYP3A4CYP1A2ALDH1A1
SCHEMBL20337702 0.81 CYP11B2 (0.57) CYP11B1CYP11B2CYP3A4CYP1A2ALDH1A1
SCHEMBL31411986 0.81 CYP11B2 (0.57) CYP11B1CYP11B2CYP3A4CYP1A2ALDH1A1
SCHEMBL22791690 0.80 CYP11B1 (0.69) CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL20337775 0.78 CYP11B1 (0.70) CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL30777241 0.78 CYP11B1 (0.70) CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL20337629 0.75 CYP11B2 (1.00) CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL31411949 0.75 CYP11B2 (1.00) CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL31411947 0.74 CYP11B2 (0.76) CYP11B1CYP11B2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186773-A1 METALLOENZYME INHIBITOR COMPOUNDS CORXEL PHARMACEUTICALS HONG KONG LIMITED (HK) 2018-07-05 — — 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-20180186773-A1 METALLOENZYME INHIBITOR COMPOUNDS SOD1, RNASE1, FECH CYP11B1 370/4885CYP11B2 405/4885CYP3A4 863/4885

“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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