SCHEMBL17853491

SCHEMBL17853491

c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccccc3-c3cccnc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.44
▸ CYP11B1 P15538 1/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ CYP19A1 P11511 1/20 0.41
▸ GLA P06280 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2C9 P11712 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ MAPT P10636 6/20 0.39
▸ HPGD P15428 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ ATM Q13315 1/20 0.38

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
SCHEMBL19275993 0.92 CYP19A1 (0.49) DHODHCYP11B1MEN1KMT2ANTSR1
SCHEMBL17853620 0.91 CYP11B1 (0.42) DHODHCYP11B1MEN1KMT2ACYP19A1
SCHEMBL19397646 0.91 DHODH (0.50) DHODHCYP11B1MEN1KMT2ANTSR1
SCHEMBL17853564 0.91 DHODH (0.50) DHODHCYP11B1MEN1KMT2ANTSR1
SCHEMBL17853693 0.91 DHODH (0.50) DHODHCYP11B1MEN1KMT2ANTSR1
SCHEMBL17853486 0.91 DHODH (0.50) DHODHCYP11B1MEN1KMT2ANTSR1
SCHEMBL17853546 0.91 DHODH (0.50) DHODHCYP11B1MEN1KMT2ANTSR1
SCHEMBL17853561 0.91 DHODH (0.50) DHODHCYP11B1MEN1KMT2ANTSR1
SCHEMBL19397640 0.89 CYP19A1 (0.49) DHODHCYP11B1MEN1KMT2ACYP19A1
SCHEMBL24752731 0.89 DHODH (0.45) DHODHCYP11B1MEN1KMT2ANTSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3040335-B1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO (JP) 2019-04-03 — — EP 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
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 2679/4885MEN1 353/4885

“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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