SCHEMBL17511981

SCHEMBL17511981

[c]1cnnc2c1ccc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
HPRT1 P00492 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1B1 Q16678 2/20 0.34
HIF1A Q16665 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP3A4 P08684 1/20 0.32
PRMT5 O14744 1/20 0.32
PRMT3 O60678 1/20 0.32

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
SCHEMBL17511849 0.73
SCHEMBL2518882 0.70 MAPT (0.41) HSD17B10ALDH1A1TDP1CYP2A6TSHR
SCHEMBL18221926 0.70 ALDH1A1 (0.48) HSD17B10ALDH1A1TDP1CYP2A6TSHR
SCHEMBL28700411 0.68 ALDH1A1 (0.46) HSD17B10ALDH1A1TDP1CYP2A6TSHR
SCHEMBL474149 0.68 ALDH1A1 (0.46) HSD17B10ALDH1A1TDP1CYP2A6TSHR
SCHEMBL7470846 0.68 ALDH1A1 (0.46) HSD17B10ALDH1A1TDP1CYP2A6TSHR
SCHEMBL17941191 0.67 CCR4 (0.37) HSD17B10ALDH1A1TDP1CYP2A6TSHR
SCHEMBL17511966 0.67 ALDH1A1 (0.39) HSD17B10ALDH1A1TDP1CYP2A6TSHR
SCHEMBL5466728 0.66 HPRT1 (0.57) HSD17B10ALDH1A1TDP1CYP2A6TSHR
SCHEMBL17511854 0.65 NQO2 (0.41) HSD17B10ALDH1A1TDP1CYP2A6HIF1A

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-9780310-B2 Heterocyclic compound for organic electroluminescent device and its application TOSOH CORPORATION (JP) 2017-10-03 US disclosed
US-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION TOSOH CORPORATION (JP) 2016-02-25 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-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION AOC2, AZI2, KCNH2 HSD17B10 2800/4885ALDH1A1 448/4885TDP1 4351/4885

“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.