SCHEMBL17618854

SCHEMBL17618854

O=C(Nc1nnc(-c2cccnc2)o1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ ADCY8 P40145 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ HTR2C P28335 3/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ HTR2B P41595 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
SCHEMBL16250000 0.92 ADCY1 (0.49) ADCY1KDM4ELMNAL3MBTL1SMN1; SMN2
SCHEMBL17618853 0.89 ADCY1 (0.42) ADCY1KDM4ETDP1LMNAPOLB
SCHEMBL19670189 0.87 ADCY1 (0.50) ADCY1KDM4ELMNAL3MBTL1SMN1; SMN2
SCHEMBL19670414 0.87 ADCY1 (0.41) ADCY1KDM4ETDP1LMNAPOLB
SCHEMBL17624529 0.87 KIT (0.39) POLBHTR2CHTR2AKITCYP1A2
SCHEMBL17618354 0.86 HTR2C (0.48) HTR2CHTR2AKITCYP1A2HTR2B
SCHEMBL17618809 0.86 HTR2C (0.45) KDM4ELMNAL3MBTL1SMN1; SMN2HTT
SCHEMBL17618810 0.85 KMT2A (0.40) KDM4EPOLBMAPTHTR2CHTR2A
SCHEMBL17618909 0.83 ALOX15 (0.44) KDM4EMAPTKIT
SCHEMBL17618902 0.82 CA2 (0.42) KDM4ELMNAL3MBTL1SMN1; SMN2HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ADCY1 3843/4885KDM4E 1109/4885TDP1 1209/4885

“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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