SCHEMBL17853499

SCHEMBL17853499

Cc1cnccc1-c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.43
▸ GRM4 Q14833 1/20 0.42
▸ S1PR1 P21453 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ MAPT P10636 6/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HPGD P15428 3/20 0.38
▸ NTSR1 P30989 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ CYP17A1 P05093 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36

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
SCHEMBL17853496 0.86 MAPT (0.43) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL10128501 0.86 KMT2A (0.43) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL19271530 0.86 KMT2A (0.43) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL13031873 0.85 KMT2A (0.42) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL13905995 0.85 KMT2A (0.42) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL17853639 0.85 DHODH (0.51) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL19275994 0.84 MAPT (0.46) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL17227952 0.84 MAPT (0.46) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL19275993 0.83 CYP19A1 (0.49) DHODHMAPTMEN1KMT2AALDH1A1
SCHEMBL17853503 0.83 TNF (0.44) DHODHMAPTMEN1KMT2AALDH1A1

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 3921/4885GRM4 1592/4885S1PR1 3393/4885

“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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