SCHEMBL14910832

SCHEMBL14910832

Brc1cncc(-c2cccc(N3CCOCC3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.48
▸ RPS6KA3 P51812 1/20 0.47
▸ AGXT P21549 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ KMO O15229 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ PLOD2 O00469 2/20 0.43
▸ PLOD3 O60568 2/20 0.43
▸ PLOD1 Q02809 2/20 0.43
▸ AR P10275 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ DHFR P00374 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL3378512 0.85 MAPT (0.52) LRRK2RPS6KA3MAPTALDH1A1HPGD
SCHEMBL11992439 0.83 LRRK2 (0.48) LRRK2RPS6KA3AGXTLMNAKMO
SCHEMBL2558497 0.80 RPS6KA3 (0.47) LRRK2RPS6KA3AGXTLMNAKMO
SCHEMBL3721452 0.77 CNR1 (0.60) LRRK2ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL11210288 0.77 LMNA (0.68) LRRK2AGXTLMNAKMOALDH1A1
SCHEMBL100931 0.77 CHRNB2 (0.60) LRRK2LMNAMAPTALDH1A1HPGD
SCHEMBL3728634 0.77 RPS6KA3 (0.46) LRRK2RPS6KA3AGXTLMNAKMO
SCHEMBL1432105 0.75 LMNA (0.59) AGXTLMNAKMOMAPTALDH1A1
SCHEMBL12576029 0.75 CYP2A6 (0.55) MEN1KMT2AMETAP2
SCHEMBL14320394 0.74 AGXT (0.56) LRRK2AGXTLMNAKMOMAPT

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 — — EP disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 — — US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 — — US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
US-8809371-B2 — — 2014-08-19 — — US disclosed
US-8772320-B2 — — 2014-07-08 — — US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 — — US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 — — US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 — — US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 — — EP disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 — — EP disclosed
CN-102958918-A Novel nicotinamide derivatives or salts thereof FUJIFILM CORP 2013-03-06 — — CN 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK LRRK2 723/4885RPS6KA3 1133/4885AGXT 3794/4885

“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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