SCHEMBL7030199

SCHEMBL7030199

O=C1c2ccccc2C(=O)N1CCCCn1cnc(-c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
LMNA P02545 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTR1A P08908 1/20 0.46
AR P10275 1/20 0.46

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
SCHEMBL5823359 0.84 ALDH1A1 (0.45) ALDH1A1NPSR1LMNACYP3A4CYP2D6
SCHEMBL7027251 0.83 MEN1 (0.45) ALDH1A1GAARAB9ASMN1; SMN2MAPT
SCHEMBL8093014 0.83 TSHR (0.49) ALDH1A1MAPTTDP1
SCHEMBL7023148 0.81 HTR1A (0.43) ALDH1A1RAB9ASMN1; SMN2MAPTTDP1
SCHEMBL4871015 0.79 TSHR (0.40) ALDH1A1RAB9ASMN1; SMN2MAPTTDP1
SCHEMBL14268974 0.79 TDP1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19RAB9A
SCHEMBL14268976 0.79 HTR1A (0.44) ALDH1A1RAB9ASMN1; SMN2MAPTTDP1
SCHEMBL4867949 0.79 CYP2E1 (0.43) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4862725 0.78 HTR1A (0.43) ALDH1A1TDP1HTR1A
SCHEMBL13851862 0.78 TDP1 (0.42) ALDH1A1RAB9ASMN1; SMN2MAPTHTT

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
EP-1016669-B1 New derivatives of erythromycin, process for making them as well as their use as medicaments AVENTIS PHARMA SA (FR) 2003-02-19 EP disclosed
US-6455505-B2 11,12-DIDEOXY-3-DE((2,6-DIDEOXY-3-C-METHYL-3-O-METHYL-ALPHA-L -RIBOHEXOPYRANOSYL)OXY) 6-0-METHYL 3-OXO-12,11-(OXYCARBONYL) ((4-(4-(4-AMINOPHENYL)-1H-IMIDAZOL-1-YL)-BUTYL)IMINO))-ERYTHROMYCIN; GRAMPOSITIVE BACTERIA, ESP. STAPHYLOCCUS HOECHST MARION ROUSSEL (FR) 2002-09-24 US disclosed
US-6407257-B1 ANTIBIOTICS AVENTIS PHARMA S.A. (FR) 2002-06-18 US disclosed
US-20020028781-A1 New derivatives of erythromycin, their preparation process and their use as medicaments HOECHST MARION ROUSSEL 2002-03-07 US disclosed
US-20020013281-A1 DERIVATIVES ...USE AS MEDICAMENTS HOECHST MARION ROUSSEL (FR) 2002-01-31 US disclosed
EP-1016669-A1 New derivatives of erythromycin, process for making them as well as their use as medicaments HOECHST MARION ROUSSEL (FR) 2000-07-05 EP disclosed
WO-2000027857-A2 NOVEL ERYTHROMYCIN DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2000-05-18 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 (2 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-20020013281-A1 DERIVATIVES ...USE AS MEDICAMENTS FPR1, XDH, ABCB11 ALDH1A1 446/4885NPSR1 1756/4885LMNA 3283/4885
US-20020028781-A1 New derivatives of erythromycin, their preparation process and their use as medicaments MRPL21, CYP51A1, EEF1A1 ALDH1A1 3315/4885NPSR1 2587/4885LMNA 1480/4885

“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.