SCHEMBL17853582

SCHEMBL17853582

c1ccc(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4cc5ccccc5c5ccccc45)n3)cc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ PPP1CA P62136 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HSD17B10 Q99714 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ METAP1 P53582 1/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ TP53 P04637 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ PKM P14618 2/20 0.36
▸ NPC1 O15118 2/20 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
SCHEMBL12579520 0.93 DHODH (0.39) MAPTNPSR1KMT2APPP1CACYP1A2
SCHEMBL24810936 0.89 L3MBTL1 (0.45) MAPTKMT2AMAPK1KDM4EALDH1A1
SCHEMBL17853569 0.88 KDM4E (0.47) MAPTNPSR1KMT2APPP1CACYP1A2
SCHEMBL17943368 0.88 KDM4E (0.40) MAPTKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL17853581 0.87 DHODH (0.39) MAPTNPSR1KMT2ACYP1A2CYP2C9
SCHEMBL17853572 0.87 DHODH (0.41) MAPTNPSR1KMT2APPP1CACYP1A2
SCHEMBL15887905 0.86 KDM4E (0.39) MAPTKMT2AMAPK1KDM4EALDH1A1
SCHEMBL10051244 0.86 DHODH (0.44) MAPTNPSR1KMT2APPP1CACYP1A2
SCHEMBL9888905 0.86 MAPT (0.46) MAPTNPSR1KMT2APPP1CACYP1A2
SCHEMBL10051351 0.86 DHODH (0.44) MAPTNPSR1KMT2APPP1CACYP1A2

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-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 2833/4885NPSR1 3314/4885KMT2A 1111/4885

“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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