SCHEMBL19365604

SCHEMBL19365604

Nc1ccc(-c2cccnc2)nc1N(C(=O)Nc1cccnc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ ABL1 P00519 2/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ BCR P11274 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ NAMPT P43490 2/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ GBA1 P04062 4/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41

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
SCHEMBL19365310 0.91 TSHR (0.45) HDAC1HDAC2HDAC3POLBABL1
SCHEMBL19670509 0.91 HDAC1 (0.41) HDAC1HDAC2HDAC3POLBABL1
SCHEMBL19669983 0.91 HDAC1 (0.42) HDAC1HDAC2HDAC3POLBABL1
SCHEMBL19365728 0.90 HDAC2 (0.43) HDAC1HDAC2HDAC3POLBABL1
SCHEMBL19365519 0.90 POLB (0.46) HDAC1HDAC2HDAC3POLBABL1
SCHEMBL19365478 0.90 HDAC3 (0.40) HDAC1HDAC2HDAC3POLBABL1
SCHEMBL19364819 0.89 MCHR1 (0.47) HDAC1HDAC2HDAC3POLBABL1
SCHEMBL19365778 0.88 HDAC3 (0.39) HDAC1HDAC2HDAC3POLBABL1
SCHEMBL19365441 0.87 ATR (0.48) HDAC1HDAC2HDAC3POLBABL1
SCHEMBL19364864 0.87 HDAC2 (0.44) HDAC1HDAC2HDAC3ABL1PDGFRB

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 HDAC1 71/4885HDAC2 50/4885HDAC3 70/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 HDAC1 71/4885HDAC2 50/4885HDAC3 70/4885

“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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