SCHEMBL17624534

SCHEMBL17624534

NCCCCCC(=O)NCc1cccc(NC(=O)C2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CC[C@H]2C3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.37
▸ EPHB4 P54760 2/20 0.36
▸ LMNA P02545 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ USP2 O75604 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 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
▸ MAPT P10636 2/20 0.35
▸ HDAC11 Q96DB2 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
SCHEMBL19365864 0.83 KMT2A (0.39) KMT2ATSHRMEN1ALDH1A1KDM4E
SCHEMBL19670574 0.81 KDM4E (0.39) KMT2ATSHRKDM4ELMNAUSP2
SCHEMBL17624535 0.81 KDM4E (0.39) KMT2ATSHRKDM4ELMNAUSP2
SCHEMBL19365865 0.79 TSHR (0.36) KMT2ATSHREPHB4HDAC3HDAC1
SCHEMBL19670572 0.76 LMNA (0.35) KMT2ATSHREPHB4LMNAUSP2
SCHEMBL19365866 0.75 POLB (0.38) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL16785533 0.74 CA2 (0.37) EPHB4HDAC3HDAC1HDAC2HDAC10
SCHEMBL17618868 0.73 RHOA (0.47) KMT2ATSHRMEN1ALDH1A1KDM4E
SCHEMBL19699096 0.73 SMN1; SMN2 (0.45) ALDH1A1LMNASMN1; SMN2
SCHEMBL16249981 0.73 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC10HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 1287/4885TSHR 2703/4885MEN1 3505/4885

“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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