SCHEMBL16776408

SCHEMBL16776408

O=C(Nc1nnc(-c2cccnc2)o1)N1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.42
▸ ADCY1 Q08828 4/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PTGS2 P35354 2/20 0.40
▸ EGFR P00533 1/20 0.40
▸ ADCY8 P40145 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ HTR2C P28335 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PIKFYVE Q9Y2I7 2/20 0.37
▸ MC4R P32245 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
SCHEMBL16776406 0.92 ADCY1 (0.50) KDM4EADCY1TDP1LMNAL3MBTL1
SCHEMBL16776405 0.88 ADCY1 (0.43) KDM4EADCY1TDP1LMNAL3MBTL1
SCHEMBL16775824 0.86 HTR2A (0.50) MAPTHTR2CHTR2AKITPIKFYVE
SCHEMBL16776358 0.85 HTR2C (0.48) EGFRMAPTHTR2CHTR2AKIT
SCHEMBL16785538 0.84 HTR2A (0.49) MAPTHTR2CHTR2AKITPIKFYVE
SCHEMBL16775818 0.82 ALOX15 (0.46) KITMC4R
SCHEMBL16775829 0.82 CA2 (0.41) HTR2CHTR2AKITNPC1PIKFYVE
SCHEMBL16776322 0.81 NPC1 (0.44) LMNAGAASMN1; SMN2MAPTKIT
SCHEMBL16775822 0.81 TRPV1 (0.37) HTR2CHTR2AKITPIKFYVEMC4R
SCHEMBL16775817 0.81 FAAH (0.40) HTR2CHTR2A

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM4E 950/4885ADCY1 3053/4885TDP1 1232/4885

“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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