SCHEMBL19706123

SCHEMBL19706123

Cc1nc(NC(=O)N2c3nc(-c4cccc(Cl)c4)ccc3C3C[C@@H](O)C32)sc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.39
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ FFAR2 O15552 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CFTR P13569 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ NR3C1 P04150 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ CNR2 P34972 2/20 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
SCHEMBL19670327 0.81 PIK3CD (0.36) ABL1
SCHEMBL19706246 0.81 BRAF (0.37) ABL1KMT2AMEN1MAPTPTGER4
SCHEMBL17618835 0.80 ABL1 (0.38) ABL1KMT2AMEN1RAB9APOLB
SCHEMBL19706127 0.79 TSHR (0.47) ABL1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL19706131 0.79 POLB (0.42) KMT2AMEN1RAB9APOLBKDM4E
SCHEMBL19670657 0.79 MPL (0.42) ABL1ALDH1A1CNR2GRM5
SCHEMBL19706271 0.78 CNR2 (0.36) ABL1POLBMAPTFYNCNR2
SCHEMBL17618763 0.78 RAB9A (0.41) ABL1KMT2AMEN1RAB9APOLB
SCHEMBL19706141 0.78 P2RY1 (0.40) ABL1RAB9APOLBSMN1; SMN2FFAR2
SCHEMBL19706149 0.78 FAAH (0.40) ABL1KMT2AMEN1SMN1; SMN2ALDH1A1

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 ABL1 4089/4885KMT2A 1438/4885MEN1 3676/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ABL1 4089/4885KMT2A 1438/4885MEN1 3676/4885

“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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