SCHEMBL17853601

SCHEMBL17853601

c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc(-c3ccccc3-c3ccncc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ TSHR P16473 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ KDM4E B2RXH2 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SQOR Q9Y6N5 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HTR6 P50406 1/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ ROCK2 O75116 1/20 0.35

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
SCHEMBL18820837 0.94 KDM4E (0.41) MAPTALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL17853498 0.91 MAPT (0.43) MAPTALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL19397662 0.89 KMT2A (0.43) MAPTALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL17853622 0.89 KMT2A (0.43) MAPTALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL19397660 0.89 KMT2A (0.43) MAPTALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL20405034 0.89 KDM4E (0.41) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL25768907 0.88 MAPT (0.41) MAPTALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL17853620 0.88 CYP11B1 (0.42) MAPTALDH1A1TSHRHTTKDM4E
SCHEMBL17853628 0.87 MAPK13 (0.37) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL17853619 0.87 GRM5 (0.38) MAPTALDH1A1SMN1; SMN2TSHRKDM4E

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 MAPT 2833/4885ALDH1A1 408/4885SMN1; SMN2 2442/4885

“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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