SCHEMBL19365864

SCHEMBL19365864

NCCCCCC(=O)NCc1cccc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CC[C@H]2C3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CCR2 P41597 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HDAC3 O15379 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC10 Q969S8 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ BACE1 P56817 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
SCHEMBL19670574 0.96 KDM4E (0.39) KMT2ATSHRCCR2KCNH2NPC1
SCHEMBL17624535 0.96 KDM4E (0.39) KMT2ATSHRCCR2KCNH2NPC1
SCHEMBL16249981 0.88 HDAC3 (0.40) CA2CA9HDAC3HDAC1HDAC2
SCHEMBL19365865 0.88 TSHR (0.36) KMT2ATSHRNPC1CA2CA9
Hydrochloric Acid SCHEMBL16754672 0.88 HDAC3 (0.40) CA2CA9HDAC3HDAC1HDAC2
SCHEMBL17618875 0.88 KMT2A (0.41) KMT2ATSHRCCR2KCNH2CA2
SCHEMBL19670419 0.87 KMT2A (0.38) KMT2ATSHRCCR2NPC1CA2
SCHEMBL19365598 0.85 TSHR (0.36) KMT2ATSHRCCR2CA2CA9
SCHEMBL17618783 0.84 MEN1 (0.47) KMT2ATSHRMEN1ALDH1A1KDM4E
SCHEMBL20632966 0.84 CA2 (0.39) KMT2ATSHRCCR2NPC1CA2

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 4 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
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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 KMT2A 1438/4885TSHR 3064/4885CCR2 3874/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KMT2A 1438/4885TSHR 3064/4885CCR2 3874/4885

“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.

Send feedback