SCHEMBL19365441

SCHEMBL19365441

Nc1ccc(-c2cccnc2)nc1N(C(=O)Nc1ccccn1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 2/20 0.48
▸ HDAC2 Q92769 3/20 0.44
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ ABL1 P00519 2/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ GBA1 P04062 4/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL19364864 0.93 HDAC2 (0.44) ATRHDAC2HDAC1HDAC3ABL1
SCHEMBL19365606 0.91 ATR (0.48) ATRHDAC2HDAC1HDAC3ABL1
SCHEMBL19365567 0.90 HDAC1 (0.43) ATRHDAC2HDAC1HDAC3ABL1
SCHEMBL19365323 0.89 GRM5 (0.41) ATRHDAC2HDAC1HDAC3LMNA
SCHEMBL19364834 0.88 ALDH1A1 (0.39) ATRHDAC2ABL1POLBNPC1
SCHEMBL19670409 0.88 PRMT5 (0.42) ATRNPSR1TSHRTDP1LMNA
SCHEMBL19365309 0.88 CNR2 (0.40) ATRHDAC2HDAC1HDAC3LMNA
SCHEMBL19365604 0.87 HDAC1 (0.46) ATRHDAC2HDAC1HDAC3ABL1
SCHEMBL19706240 0.87 WNT1 (0.40) ATRHDAC2HDAC1HDAC3NPC1
SCHEMBL19365471 0.87 ATR (0.36) ATRHDAC2HDAC1HDAC3POLB

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 ATR 1867/4885HDAC2 50/4885HDAC1 71/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ATR 1867/4885HDAC2 50/4885HDAC1 71/4885

“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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