SCHEMBL19706141

SCHEMBL19706141

COc1cc(NC(=O)N2c3nc(-c4cccc(Cl)c4)ccc3C3C[C@@H](O)C32)nc(OC)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 1/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ PTGDR Q13258 3/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ CNR2 P34972 3/20 0.33

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
SCHEMBL19706149 0.89 FAAH (0.40) ALDH1A1SMN1; SMN2CNR1HCRTR1HCRTR2
SCHEMBL19670446 0.82 NPC1 (0.36) NPC1RAB9ACYP1A2ALDH1A1CASP3
SCHEMBL17618827 0.81 P2RY1 (0.39) P2RY1NPC1RAB9ACYP1A2ALDH1A1
SCHEMBL19670657 0.80 MPL (0.42) ALDH1A1ABL1CNR2GRM5
SCHEMBL19706131 0.80 POLB (0.42) RAB9AALDH1A1CNR2GRM5POLB
SCHEMBL16776250 0.79 P2RY1 (0.40) P2RY1NPC1RAB9ACYP1A2ALDH1A1
SCHEMBL17618423 0.78 P2RY1 (0.39) P2RY1NPC1RAB9ACYP1A2ALDH1A1
SCHEMBL19706123 0.78 ABL1 (0.39) NPC1RAB9AALDH1A1SMN1; SMN2ABL1
SCHEMBL19706246 0.78 BRAF (0.37) CYP1A2ABL1CNR2GRM5
SCHEMBL19706127 0.77 TSHR (0.47) ALDH1A1SMN1; SMN2TP53ABL1CNR2

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 2 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

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 P2RY1 1227/4885NPC1 3380/4885RAB9A 1471/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 P2RY1 1227/4885NPC1 3380/4885RAB9A 1471/4885

“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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