SCHEMBL17618399

SCHEMBL17618399

CCc1cccc(C)c1NC(=O)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ UBE2M P61081 2/20 0.37
▸ DCUN1D1 Q96GG9 2/20 0.37
▸ MAPT P10636 3/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ EGFR P00533 2/20 0.37
▸ DRD4 P21917 1/20 0.36
▸ CTSA P10619 1/20 0.36
▸ CCR2 P41597 1/20 0.36
▸ KDM1A O60341 2/20 0.35
▸ IDH2 P48735 2/20 0.35
▸ NPY2R P49146 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL16238261 0.95 KMT2A (0.39) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL19689756 0.85 KMT2A (0.41) KMT2AMEN1ALDH1A1RXFP1TSHR
SCHEMBL17618352 0.85 TRPV1 (0.40) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL17618398 0.85 KMT2A (0.38) KMT2AMEN1ALDH1A1MAPTTSHR
Hydrochloric Acid SCHEMBL19689854 0.85 KMT2A (0.40) KMT2AMEN1ALDH1A1RXFP1TSHR
SCHEMBL17618783 0.84 MEN1 (0.47) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL17618411 0.84 KIT (0.37) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL19689772 0.84 CNR2 (0.43) KMT2AMEN1ALDH1A1TSHRKDM1A
SCHEMBL19670221 0.84 UBE2M (0.37) KMT2AMEN1ALDH1A1UBE2MDCUN1D1
SCHEMBL17768260 0.84 KMT2A (0.40) KMT2AMEN1ALDH1A1TSHRKDM1A

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 3505/4885ALDH1A1 1910/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1438/4885MEN1 3676/4885ALDH1A1 1726/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KMT2A 1438/4885MEN1 3676/4885ALDH1A1 1726/4885

“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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