SCHEMBL6499951

SCHEMBL6499951

O=[N+]([O-])c1ccc(N2CCCNCC2)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.63
KMT2A Q03164 1/20 0.63
MAPT P10636 5/20 0.60
LMNA P02545 3/20 0.60
GAA P10253 2/20 0.60
SMN1; SMN2 Q16637 4/20 0.59
ADRB1 P08588 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52
THRB P10828 1/20 0.52
HTR7 P34969 1/20 0.50
POLB P06746 1/20 0.49
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
SLC6A4 P31645 1/20 0.48
CYP2C19 P33261 1/20 0.48
THPO P40225 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48

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
Hydrochloric Acid SCHEMBL3201233 0.99 ALDH1A1 (0.61) ALDH1A1KMT2AMAPTLMNAGAA
SCHEMBL522009 0.94 ALDH1A1 (0.69) ALDH1A1KMT2AMAPTLMNAGAA
SCHEMBL29493728 0.94 ALDH1A1 (0.69) ALDH1A1KMT2AMAPTLMNAGAA
Hydrochloric Acid SCHEMBL4003615 0.93 ALDH1A1 (0.68) ALDH1A1KMT2AMAPTLMNAGAA
Hydrochloric Acid SCHEMBL30255520 0.93 ALDH1A1 (0.68) ALDH1A1KMT2AMAPTLMNAGAA
SCHEMBL4921368 0.87 ALDH1A1 (0.75) ALDH1A1KMT2AMAPTLMNAGAA
SCHEMBL1127011 0.86 ALDH1A1 (0.73) ALDH1A1KMT2AMAPTLMNAGAA
SCHEMBL30928952 0.86 ALDH1A1 (0.73) ALDH1A1KMT2AMAPTLMNAGAA
SCHEMBL85672 0.86 ALDH1A1 (0.73) ALDH1A1KMT2AMAPTLMNAGAA
Methylpiperazine SCHEMBL5742882 0.84 ALDH1A1 (0.62) ALDH1A1KMT2AMAPTLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 US disclosed
US-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 US disclosed
US-6956040-B2 Oxazolidinone piperazinyl derivatives as potential antimicrobials RANBAXY LABORATORIES LIMITED (IN) 2005-10-18 US disclosed
US-20040254162-A1 Oxazolidinone derivatives as antimicrobials RANBAXY LABORATORIES LIMITED (IN) 2004-12-16 US disclosed
US-6734307-B2 USE AGAINST MULTIPLY RESISTANT GRAM POSITIVE PATHOGENS; HAVE A DIAZINE MOIETY ATTACHED TO THE PHENYLOXAZOLIDINONE WHICH IS FURTHER SUBSTITUTED BY HETEROCYCLIC, ARYL, SUBSTITUTED ARYL, HETEROAROAMATIC RING RANBAXY LABORATORIES LIMITED (IN) 2004-05-11 US disclosed
EP-1409465-A2 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES, LTD. (IN) 2004-04-21 EP disclosed
US-20030119817-A1 Oxazolidinone derivatives as potential antimicrobials MEHTA ANITA (IN) 2003-06-26 US disclosed
EP-1303511-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES, LTD. (IN) 2003-04-23 EP disclosed
WO-2003007870-A2 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2003-01-30 WO disclosed
US-20020103186-A1 Oxazolidinone derivatives as antimicrobials disease RANBAXY LABORATORIES LIMITED (IN) 2002-08-01 US disclosed
WO-2002006278-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2002-01-24 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-20030119817-A1 Oxazolidinone derivatives as potential antimicrobials OXA1L, PDK4, SDHA ALDH1A1 973/4885KMT2A 4723/4885MAPT 2012/4885
US-20020103186-A1 Oxazolidinone derivatives as antimicrobials disease OXA1L, MLYCD, TBCD ALDH1A1 1168/4885KMT2A 4790/4885MAPT 2547/4885
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives STAT6, RELA, NFKB2 ALDH1A1 2263/4885KMT2A 3606/4885MAPT 4713/4885
US-20040254162-A1 Oxazolidinone derivatives as antimicrobials PPARD, PDK4, OXA1L ALDH1A1 934/4885KMT2A 4746/4885MAPT 2156/4885

“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.