SCHEMBL5378183

SCHEMBL5378183

Nc1cccc2c(O)c(C(c3ccccc3Cl)N3CCCCC3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HTT P42858 3/20 0.53
HSP90AA1 P07900 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
S1PR4 O95977 1/20 0.53
S1PR1 P21453 1/20 0.53
AGTR1 P30556 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
OPRM1 P35372 6/20 0.41
OPRK1 P41145 6/20 0.41
OPRL1 P41146 6/20 0.41
OPRD1 P41143 5/20 0.41
ALPL P05186 1/20 0.40
PPP1CA P62136 1/20 0.40
ADAM17 P78536 1/20 0.40
NR4A2 P43354 1/20 0.39

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
SCHEMBL5382667 0.81 MAPT (0.55) MAPTKDM4EALDH1A1HTTHSP90AA1
SCHEMBL5394144 0.71 MAPT (0.52) MAPTKDM4EALDH1A1HTTHSP90AA1
SCHEMBL5346560 0.69 NR4A2 (0.59) MAPTKDM4EALDH1A1TDP1KMT2A
SCHEMBL5385573 0.69 MAPT (0.50) MAPTKDM4EALDH1A1HTTHSP90AA1
SCHEMBL5385493 0.68 P4HB (0.61) MAPTKDM4EALDH1A1HTTHSP90AA1
Hydrochloric Acid SCHEMBL6273768 0.68 NR4A2 (0.57) MAPTKDM4EALDH1A1TDP1KMT2A
SCHEMBL12530584 0.65 HSP90AA1 (0.76) MAPTKDM4EALDH1A1HTTHSP90AA1
SCHEMBL27981623 0.64 P4HB (0.58) MAPTKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL27981622 0.64 P4HB (0.58) MAPTKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL15522619 0.64 MAPT (0.45) MAPTKDM4EALDH1A1HTTHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246790-B1 SUBSTITUTED 1 AND 2 NAPHTHOL MANNICH BASES GRUENENTHAL GMBH (DE) 2005-05-04 EP claimed
US-6774136-B2 Substituted 1 and 2 naphthol mannich bases GRUENENTHAL GMBH (DE) 2004-08-10 US claimed
US-20040147570-A1 Substituted 1 and 2-naphthol mannich bases GRUENENTHAL GMBH (DE) 2004-07-29 US claimed
WO-2001047866-A9 SUBSTITUTED 1 AND 2 NAPHTHOL MANNICH BASES GRUENENTHAL GMBH (DE) 2002-11-07 WO claimed
EP-1246790-A1 SUBSTITUTED 1 AND 2 NAPHTHOL MANNICH BASES Grünenthal GmbH (DE) 2002-10-09 EP claimed
WO-2001047866-A1 SUBSTITUTED 1 AND 2 NAPHTHOL MANNICH BASES Grünenthal GmbH (DE) 2001-07-05 WO claimed
US-7202242-B2 Substituted 1 and 2-naphthol Mannich bases GRUENENTHAL GMBH (DE) 2007-04-10 US disclosed
US-7202242-B2 Substituted 1 and 2-naphthol Mannich bases GRUENENTHAL GMBH (DE) 2007-04-10 US disclosed
US-7202242-B2 Substituted 1 and 2-naphthol Mannich bases GRUENENTHAL GMBH (DE) 2007-04-10 US disclosed
EP-1246790-B1 SUBSTITUTED 1 AND 2 NAPHTHOL MANNICH BASES GRUENENTHAL GMBH (DE) 2005-05-04 EP disclosed
US-6774136-B2 Substituted 1 and 2 naphthol mannich bases GRUENENTHAL GMBH (DE) 2004-08-10 US disclosed
US-20040147570-A1 Substituted 1 and 2-naphthol mannich bases GRUENENTHAL GMBH (DE) 2004-07-29 US disclosed
US-20040044061-A1 Substituted 1 and 2 naphthol mannich bases GRUENENTHAL GMBH (DE) 2004-03-04 US disclosed
WO-2001047866-A9 SUBSTITUTED 1 AND 2 NAPHTHOL MANNICH BASES GRUENENTHAL GMBH (DE) 2002-11-07 WO disclosed
EP-1246790-A1 SUBSTITUTED 1 AND 2 NAPHTHOL MANNICH BASES Grünenthal GmbH (DE) 2002-10-09 EP disclosed
WO-2001047866-A1 SUBSTITUTED 1 AND 2 NAPHTHOL MANNICH BASES Grünenthal GmbH (DE) 2001-07-05 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 (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-20040044061-A1 Substituted 1 and 2 naphthol mannich bases DPM1, ALG8, MAN2B1 MAPT 1272/4885KDM4E 4537/4885ALDH1A1 1539/4885
US-20040147570-A1 Substituted 1 and 2-naphthol mannich bases DPM1, ALG8, MAN2B1 MAPT 1459/4885KDM4E 4560/4885ALDH1A1 1312/4885

“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.