SCHEMBL3378512

SCHEMBL3378512

Brc1cncc(-c2ccc(N3CCOCC3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ TLR9 Q9NR96 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ LRRK2 Q5S007 2/20 0.49
▸ MAPK10 P53779 1/20 0.48
▸ TGFBR1 P36897 2/20 0.45
▸ ACVR1 Q04771 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ FYN P06241 1/20 0.44
▸ CHEK1 O14757 2/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ DRD4 P21917 1/20 0.44

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
SCHEMBL14910832 0.85 LRRK2 (0.48) MAPTKDM4ESMN1; SMN2MEN1RAB9A
SCHEMBL100931 0.82 CHRNB2 (0.60) MAPTKDM4ESMN1; SMN2MEN1RAB9A
SCHEMBL11992447 0.81 TGFBR1 (0.51) MAPTKDM4EMEN1RAB9AKMT2A
SCHEMBL3669623 0.80 HRH3 (0.64) MAPTSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL4199469 0.78 BRAF (0.44) MAPTKDM4ESMN1; SMN2MEN1RAB9A
SCHEMBL2557306 0.78 MAPK10 (0.45) MAPTKDM4ESMN1; SMN2MEN1RAB9A
SCHEMBL3665692 0.77 LRRK2 (0.39) MAPTKDM4ESMN1; SMN2MEN1RAB9A
SCHEMBL31181683 0.76 LRRK2 (0.54) MAPTKDM4ELRRK2MAPK10CHEK1
SCHEMBL1309817 0.76 PIK3CA (0.55) KDM4EALDH1A1HPGDLRRK2HSD17B10
SCHEMBL30108224 0.76 CHEK1 (0.56) SMN1; SMN2LRRK2ACVR1CHEK1AOC3

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 15 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
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 — — WO 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 MAPT 4186/4885KDM4E 2420/4885SMN1; SMN2 2190/4885

“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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