SCHEMBL17618823

SCHEMBL17618823

O=C(NCCCc1cccnc1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CHRM4 P08173 3/20 0.42
▸ UBE2M P61081 3/20 0.37
▸ DCUN1D1 Q96GG9 3/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ FKBP1A P62942 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ EPHB4 P54760 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
SCHEMBL17618781 0.96 KMT2A (0.47) KMT2AMEN1CHRM4UBE2MDCUN1D1
SCHEMBL17618785 0.92 CHRM4 (0.40) KMT2ACHRM4UBE2MDCUN1D1TSHR
SCHEMBL17618776 0.92 ASAH1 (0.40) KMT2ACHRM4EPHX2TSHRNAMPT
SCHEMBL17618777 0.90 ASAH1 (0.42) KMT2ACHRM4TSHR
SCHEMBL17618790 0.87 CHRM4 (0.41) KMT2AMEN1CHRM4TSHRKDM4E
SCHEMBL16238924 0.87 TP53 (0.42) KMT2ACHRM4TSHR
SCHEMBL19689730 0.87 ITGB2 (0.42) KMT2AMEN1TSHR
SCHEMBL19699710 0.87 ITGB2 (0.42) KMT2AMEN1TSHR
SCHEMBL17618822 0.86 LPL (0.43) CHRM4
SCHEMBL19346988 0.86 CASP6 (0.41) KMT2AMEN1TSHRNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
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 (3 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 KMT2A 1287/4885MEN1 3505/4885CHRM4 4629/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1438/4885MEN1 3676/4885CHRM4 4421/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KMT2A 1438/4885MEN1 3676/4885CHRM4 4421/4885

“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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