SCHEMBL17853600

SCHEMBL17853600

Cc1ccccc1-c1nc(-c2ccc(-c3ccncc3)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ CLK4 Q9HAZ1 3/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ MAPT P10636 5/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ DHODH Q02127 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ CYP2D6 P10635 4/20 0.38
▸ CYP2C19 P33261 4/20 0.38
▸ USP2 O75604 2/20 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
SCHEMBL24812006 0.90 KDM4E (0.44) CYP1A2CYP3A4LMNAALDH1A1HSD17B10
SCHEMBL17853602 0.89 USP1 (0.49) CYP1A2CYP3A4LMNAALDH1A1HSD17B10
SCHEMBL18679015 0.87 NR3C1 (0.37) CYP1A2CYP3A4LMNAALDH1A1HSD17B10
SCHEMBL21983650 0.87 KDM4E (0.39) CYP1A2CYP3A4LMNAALDH1A1HSD17B10
SCHEMBL18679000 0.87 KDM4E (0.39) CYP1A2CYP3A4LMNAALDH1A1HSD17B10
SCHEMBL18679495 0.87 NR3C1 (0.37) CYP1A2CYP3A4LMNAALDH1A1HSD17B10
SCHEMBL18679437 0.87 KDM4E (0.39) CYP1A2CYP3A4LMNAALDH1A1HSD17B10
SCHEMBL18679537 0.87 NR3C1 (0.37) CYP1A2CYP3A4LMNAALDH1A1HSD17B10
SCHEMBL18679528 0.87 KDM4E (0.39) CYP1A2CYP3A4LMNAALDH1A1HSD17B10
SCHEMBL18679143 0.87 NR3C1 (0.37) CYP1A2CYP3A4LMNAALDH1A1HSD17B10

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 CYP1A2 1276/4885CYP3A4 2177/4885LMNA 2198/4885

“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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