SCHEMBL4094593

SCHEMBL4094593

Cc1ccc(C(=O)Nc2ccc(I)cc2C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.61
ALDH1A1 P00352 3/20 0.60
AKR1C2 P52895 1/20 0.57
AKR1C1 Q04828 1/20 0.57
TSHR P16473 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
LMNA P02545 4/20 0.55
MAPT P10636 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
POLB P06746 3/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
HPGD P15428 2/20 0.54
CA12 O43570 1/20 0.53

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
SCHEMBL20975495 0.91 TSHR (0.57) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL4096497 0.86 ALDH1A1 (0.61) MEN1KMT2AALDH1A1AKR1C2AKR1C1
SCHEMBL10090763 0.78 SMN1; SMN2 (0.70) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL8306313 0.76 AKR1C2 (0.65) MEN1KMT2ASMN1; SMN2ALDH1A1AKR1C2
SCHEMBL6647253 0.76 MEN1 (0.72) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL28780205 0.75 TSHR (0.71) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL177231 0.74 TSHR (1.00) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL30668892 0.74 TSHR (1.00) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL6720224 0.74 LMNA (0.70) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL7128950 0.73 CYP1A2 (0.79) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 US disclosed
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 US disclosed
US-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use 7TM PHARMA A/S (DK) 2009-04-23 US disclosed
EP-1758571-A1 CRTH2 RECEPTOR LIGANDS FOR THERAPEUTIC USE 7TM Pharma A/S (DK) 2007-03-07 EP disclosed
WO-2005115374-A1 CRTH2 RECEPTOR LIGANDS FOR THERAPEUTIC USE 7TM PHARMA A/S (DK) 2005-12-08 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-20090105218-A1 CRTH2 Receptor Ligands For Therapeutic Use NR1H2, NR1H3, HRH2 MEN1 2859/4885KMT2A 2570/4885SMN1; SMN2 1572/4885

“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.