SCHEMBL17853584

SCHEMBL17853584

c1cncc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccc5ccc6cccc7ccc4c5c67)n3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.40
▸ CYP11B1 P15538 4/20 0.39
▸ CYP11B2 P19099 3/20 0.39
▸ CYP19A1 P11511 2/20 0.39
▸ CYP17A1 P05093 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ AOC3 Q16853 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL17853593 0.90 DHODH (0.41) DHODHCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL17853587 0.90 MAPT (0.40) DHODHKDM4EMAPTRAB9AALDH1A1
SCHEMBL24810939 0.90 KDM4E (0.40) DHODHKDM4EMAPTALDH1A1HPGD
SCHEMBL17853570 0.89 KDM4E (0.46) DHODHCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL19168173 0.87 CYP11B1 (0.48) DHODHCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL19167686 0.87 CYP11B1 (0.48) DHODHCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL15446936 0.86 CYP11B1 (0.44) DHODHCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL12611900 0.86 CYP11B2 (0.41) DHODHCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL17853668 0.85 DHODH (0.40) DHODHCYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL17853583 0.85 MAPT (0.39) DHODHKDM4EMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — US disclosed
US-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — 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-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, PIEZO1, SLC39A11 DHODH 3921/4885CYP11B1 2679/4885CYP11B2 2873/4885

“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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