SCHEMBL5260301

SCHEMBL5260301

Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C(c1ccccc1)N(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.49
CTSV O60911 3/20 0.49
CTSL P07711 3/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
PARP1 P09874 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 5/20 0.44
LMNA P02545 1/20 0.44
GABRA1 P14867 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRP O00591 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
SCHEMBL5261161 0.91 VDR (0.49) VDRCTSVCTSLMEN1KMT2A
SCHEMBL14411224 0.88 MEN1 (0.43) VDRCTSVCTSLMEN1KMT2A
SCHEMBL9400558 0.78 MAPT (0.54) VDRCTSVCTSLMEN1KMT2A
SCHEMBL5258148 0.78 VDR (0.56) VDRMEN1KMT2AALDH1A1NPC1
SCHEMBL9542154 0.77 MAPT (0.50) VDRCTSVCTSLMEN1KMT2A
SCHEMBL5262225 0.72 SRC (0.61) MEN1KMT2APOLBPKMSRC
SCHEMBL30312308 0.72 ALDH1A1 (0.68) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL4011471 0.72 ALDH1A1 (0.68) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL5262289 0.71 MEN1 (0.43) VDRMEN1KMT2APARP1MAPT
SCHEMBL29540314 0.71 GABRA1 (0.70) CTSVCTSLMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261585-B1 SUBSTITUTED INDOLE MANNICH BASES GRUENENTHAL GMBH (DE) 2007-09-26 EP claimed
US-7091220-B2 Substituted indole Mannich bases GRUENENTHAL GMBH (DE) 2006-08-15 US claimed
CN-1219763-C Substituted indole mannich bases GRUENENTHAL GMBH (DE) 2005-09-21 CN claimed
CN-1413192-A Substituted indole mannich bases GRUENENTHAL GMBH (DE) 2003-04-23 CN claimed
EP-1261585-B1 SUBSTITUTED INDOLE MANNICH BASES GRUENENTHAL GMBH (DE) 2007-09-26 EP disclosed
US-7091220-B2 Substituted indole Mannich bases GRUENENTHAL GMBH (DE) 2006-08-15 US disclosed
CN-1219763-C Substituted indole mannich bases GRUENENTHAL GMBH (DE) 2005-09-21 CN disclosed
CN-1413192-A Substituted indole mannich bases GRUENENTHAL GMBH (DE) 2003-04-23 CN disclosed
US-20030060497-A1 Subtituted indole mannich bases GRUENENTHAL GMBH (DE) 2003-03-27 US disclosed
EP-1261585-A1 SUBSTITUTED INDOLE MANNICH BASES Grünenthal GmbH (DE) 2002-12-04 EP disclosed
WO-2001047885-A1 SUBSTITUTED INDOLE 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 (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-20030060497-A1 Subtituted indole mannich bases TPH1, IDO1, TPH2 VDR 2170/4885CTSV 4352/4885CTSL 3915/4885

“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.