SCHEMBL19670574

SCHEMBL19670574

NCCCCCC(=O)NCc1cccc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CCC[C@@H]2C3)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ CCR2 P41597 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ IDH2 P48735 5/20 0.36
▸ TSHR P16473 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ ITK Q08881 1/20 0.34

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
SCHEMBL17624535 1.00 KDM4E (0.39) KDM4ECCR2KCNH2IDH2TSHR
SCHEMBL19365864 0.96 KMT2A (0.39) KDM4ECCR2KCNH2IDH2TSHR
SCHEMBL17618878 0.88 IDH2 (0.42) KDM4ECCR2KCNH2IDH2TSHR
SCHEMBL19365865 0.87 TSHR (0.36) TSHRKMT2ATRPV1NPC1CA2
SCHEMBL16249981 0.85 HDAC3 (0.40) CA2CA9
Hydrochloric Acid SCHEMBL16754672 0.84 HDAC3 (0.40) CA2CA9
SCHEMBL16250010 0.83 CA2 (0.42) KDM4ECCR2KCNH2IDH2TSHR
SCHEMBL17618875 0.83 KMT2A (0.41) CCR2KCNH2IDH2TSHRKMT2A
SCHEMBL19670419 0.83 KMT2A (0.38) CCR2TSHRKMT2ATRPV1NPC1
Hydrochloric Acid SCHEMBL16238734 0.83 CA2 (0.41) KDM4ECCR2KCNH2IDH2TSHR

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 3 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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — 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 (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM4E 950/4885CCR2 3874/4885KCNH2 4052/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KDM4E 950/4885CCR2 3874/4885KCNH2 4052/4885

“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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