SCHEMBL1600146

SCHEMBL1600146

Cc1cc(Cl)c(Nc2ccccn2)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
MAPT P10636 8/20 0.53
NPC1 O15118 5/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
RAB9A P51151 3/20 0.53
LMNA P02545 3/20 0.53
MITF O75030 2/20 0.53
TDP2 O95551 1/20 0.53
HSP90AA1 P07900 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP3 P42574 1/20 0.53
BLM P54132 1/20 0.53
CASP7 P55210 1/20 0.53
CASP9 P55211 1/20 0.53
CASP6 P55212 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CCNK O75909 1/20 0.44
CCNA2 P20248 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
SCHEMBL31220868 0.81 MEN1 (0.67) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL4929418 0.77 MEN1 (0.61) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL31220843 0.77 MEN1 (0.73) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL31220847 0.77 MEN1 (0.73) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL6832746 0.77 MEN1 (0.61) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL4027915 0.77 MEN1 (0.73) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL31220848 0.77 MEN1 (0.73) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL1600227 0.77 MEN1 (0.50) MEN1KMT2AMAPTNPC1KDM4E
SCHEMBL29744982 0.76 MEN1 (0.71) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL4810409 0.76 MEN1 (0.71) MEN1KMT2AMAPTNPC1ALDH1A1

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-1670787-B1 CYTOKINE INHIBITORS ITHERX PHARMA INC (US) 2012-05-30 EP disclosed
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 US disclosed
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF ITHERX PHARMACEUTICALS, INC. 2010-10-28 US disclosed
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
EP-1670787-A4 CYTOKINE INHIBITORS KEMIA INC (US) 2009-04-22 EP disclosed
EP-1670787-A2 CYTOKINE INHIBITORS Kemia, INC. (US) 2006-06-21 EP disclosed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 US disclosed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 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 (4 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-20050107399-A1 Cytokine inhibitors TNF, IL1RN, IL1A MEN1 4312/4885KMT2A 3812/4885MAPT 3744/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MEN1 4312/4885KMT2A 3812/4885MAPT 3744/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B MEN1 4645/4885KMT2A 382/4885MAPT 3950/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MEN1 4312/4885KMT2A 3812/4885MAPT 3744/4885

“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.