SCHEMBL19699694

SCHEMBL19699694

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccc4c(c2)OCCCO4)[C@H]2CCN3C2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.47
▸ MAPT P10636 6/20 0.47
▸ USP2 O75604 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ BRAF P15056 2/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ TP53 P04637 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NPY1R P25929 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ NPY2R P49146 1/20 0.37

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
SCHEMBL17618420 0.89 MAPT (0.44) KDM4EMAPTUSP2KMT2AMEN1
SCHEMBL16754601 0.88 KDM4E (0.46) KDM4EMAPTUSP2KMT2AMEN1
SCHEMBL16754697 0.85 KDM4E (0.49) KDM4EMAPTUSP2KMT2AMEN1
SCHEMBL16754427 0.82 KDM4E (0.49) KDM4EMAPTUSP2KMT2AMEN1
SCHEMBL19669060 0.82 CA9 (0.40) KDM4EMAPTUSP2KMT2AMEN1
SCHEMBL19699039 0.81 HTR2C (0.46) MAPTUSP2ALDH1A1
SCHEMBL19669059 0.81 USP2 (0.40) KDM4EMAPTUSP2KMT2AMEN1
SCHEMBL16775784 0.81 IMPDH2 (0.44) USP2BRAFCNR1NPC1RAB9A
SCHEMBL16775764 0.81 IMPDH2 (0.44) USP2BRAFCNR1NPC1RAB9A
SCHEMBL19699050 0.80 KMT2A (0.41) MAPTUSP2KMT2AMEN1CNR1

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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 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 (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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM4E 1355/4885MAPT 306/4885USP2 298/4885

“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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