SCHEMBL5523381

SCHEMBL5523381

NCC(O)c1cc(OC(=O)c2ccccc2)cc(OC(=O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 2/20 0.47
PARP10 Q53GL7 1/20 0.47
ROCK2 O75116 1/20 0.44
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.42
NSD2 O96028 1/20 0.41
GRM5 P41594 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
THPO P40225 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL5524542 0.80 ALOX5 (0.46) KMT2AMAPTTDP1MEN1PARP10
SCHEMBL2755026 0.80 KMT2A (0.68) KMT2AMAPTTDP1MEN1PARP10
SCHEMBL20429162 0.75 TAAR1 (0.49) KMT2AMAPTTDP1MEN1PARP10
Hydrochloric Acid SCHEMBL11194414 0.75 HTT (0.53) KMT2AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL11036696 0.75 BCHE (0.59) MAPTTDP1L3MBTL1LMNA
SCHEMBL11418028 0.74 KMT2A (0.57) KMT2AMAPTTDP1MEN1PARP10
SCHEMBL12649365 0.73 KMT2A (0.59) KMT2AMAPTTDP1MEN1PARP10
SCHEMBL17383940 0.73 KMT2A (0.59) KMT2AMAPTTDP1MEN1PARP10
SCHEMBL23111290 0.73 KMT2A (0.47) KMT2AMAPTTDP1MEN1PARP10
SCHEMBL1785471 0.73 KMT2A (0.69) KMT2AMAPTTDP1MEN1PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205425-B2 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof CHISSO CORPORATION (JP) 2007-04-17 US disclosed
US-20070060656-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof SHIBASAKI MASAKATSU 2007-03-15 US disclosed
US-20050148801-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof JNC CORPORATION (JP) 2005-07-07 US disclosed
EP-0947498-B1 OPTICALLY ACTIVE NITRO ALCOHOL DERIVATIVES, OPTICALLY ACTIVE AMINO ALCOHOL DERIVATIVES, AND PROCESS FOR PREPARING THE SAME CHISSO CORP (JP) 2004-09-15 EP disclosed
US-6632955-B1 Optically active 1-substituted phenyl-2-nitro alcohol derivatives which are useful pharmaceutical intermediates. Enantiomotphs active 1-substituted phenyl-2-nitro alcohol derivatives. From these nitro alcohol such as albutramin and CHISSO CORPORATION (JP) 2003-10-14 US disclosed
US-20020193447-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof JNC CORPORATION (JP) 2002-12-19 US disclosed
EP-0947498-A1 OPTICALLY ACTIVE NITRO ALCOHOL DERIVATIVES, OPTICALLY ACTIVE AMINO ALCOHOL DERIVATES, AND PROCESS FOR PREPARING THE SAME CHISSO CORPORATION (JP) 1999-10-06 EP 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 (3 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-20050148801-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof ADH1A, ALDH7A1, ADRB1 KMT2A 3532/4885MAPT 2856/4885TDP1 2914/4885
US-20070060656-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof ADH1A, ALDH7A1, ADRB1 KMT2A 3532/4885MAPT 2856/4885TDP1 2914/4885
US-20020193447-A1 Optically active nitro alcohol derivatives, optically active amino alcohol derivatives, and process for producing thereof ADH1A, ALDH7A1, SARM1 KMT2A 3443/4885MAPT 2862/4885TDP1 2853/4885

“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.