SCHEMBL6823381

SCHEMBL6823381

CC1=CC([N+](=O)[O-])=CC[CH]1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL378762 0.80
SCHEMBL4600069 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9295399 0.75 ALDH1A1 (0.34) TSHRTDP1ALDH1A1
SCHEMBL9936989 0.75 ALDH1A1 (0.30) TSHRTDP1ALDH1A1
SCHEMBL15286495 0.75 POLB (0.32)
SCHEMBL15288773 0.75
SCHEMBL4279071 0.71 CASP6 (0.34) TSHRTDP1ALDH1A1
SCHEMBL4272720 0.71 VCAM1 (0.33)
SCHEMBL8811802 0.69
SCHEMBL10957830 0.67 ALDH1A1 (0.33) TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751098-B1 AN IMPROVED PROCESS FOR PREPARATION OF ZOLMITRIPTAN EMCURE PHARMACEUTICALS LTD (IN) 2017-11-29 EP disclosed
US-9006453-B2 Process for preparation of zolmitriptan EMCURE PHARMACEUTICALS LIMITED (IN) 2015-04-14 US disclosed
EP-2830434-A1 USE OF PARA NITRO AMINO DERIVATIVES IN FEED FOR REDUCING ME-THANE EMISSION IN RUMINANTS DSM IP Assets B.V. (NL) 2015-02-04 EP disclosed
US-20140228582-A1 PROCESS FOR PREPARATION OF ZOLMITRIPTAN EMCURE PHARMACEUTICALS LIMITED (IN) 2014-08-14 US disclosed
EP-2751098-A2 AN IMPROVED PROCESS FOR PREPARATION OF ZOLMITRIPTAN Emcure Pharmaceuticals Limited (IN) 2014-07-09 EP disclosed
WO-2013144786-A1 USE OF PARA NITRO AMINO DERIVATIVES IN FEED FOR REDUCING ME-THANE EMISSION IN RUMINANTS DSM IP ASSETS B.V. (NL) 2013-10-03 WO disclosed
CN-101743246-B 2-oxo-2- (2-phenyl-5,6,7,8-tetrahydro-indolizin-3-yl) -acetamide derivatives and related compounds as antifungal agents F2G LTD 2013-07-17 CN disclosed
WO-2013057739-A2 AN IMPROVED PROCESS FOR PREPARATION OF ZOLMITRIPTAN EMCURE PHARMACEUTICALS LIMITED (IN) 2013-04-25 WO disclosed
CN-101743246-A 2-oxo-2- (2-phenyl-5,6,7,8-tetrahydro-indolizin-3-yl) -acetamide derivatives and related compounds as antifungal agents F2G LTD 2010-06-16 CN disclosed
WO-2004063175-A1 A NOVEL AND AN IMPROVED PROCESS FOR THE PREPARATION OF (S)-4-(4-AMINOBENZYL)-2- OXAZOLIDINONE NATCO PHARMA LIMITED (IN) 2004-07-29 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-20140228582-A1 PROCESS FOR PREPARATION OF ZOLMITRIPTAN HRH2, HTR1D, TMEM97 ACHE 1411/4885HSD17B10 1527/4885TSHR 1270/4885

“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.