SCHEMBL2533703

SCHEMBL2533703

Cc1cc(-c2ccccc2C(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
EIF4E P06730 4/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MCL1 Q07820 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MYC P01106 1/20 0.46
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
AKR1B10 O60218 1/20 0.44
AKR1B1 P15121 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CDC25B P30305 1/20 0.44

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
SCHEMBL5216747 0.89 TSHR (0.55) TSHREIF4EMEN1KMT2AMCL1
SCHEMBL27585698 0.87 CASP6 (0.51) TSHREIF4ESMN1; SMN2AKR1B10AKR1B1
SCHEMBL29789033 0.82 ALDH1A1 (0.53) TSHREIF4EMYCTDP1
SCHEMBL19025730 0.82 ALDH1A1 (0.53) TSHREIF4EMYCTDP1
SCHEMBL9245340 0.82 TSHR (0.66) TSHRMEN1KMT2AMCL1L3MBTL1
SCHEMBL7053371 0.81 MAPT (0.51) TSHREIF4EMCL1L3MBTL1SMN1; SMN2
Phthalic Acid SCHEMBL10580388 0.81 TSHR (0.59) TSHREIF4EMEN1KMT2AL3MBTL1
SCHEMBL6261436 0.80 SLC25A1 (0.55) EIF4EMEN1KMT2AGAA
SCHEMBL8473662 0.80 SLC25A1 (0.55) EIF4EMEN1KMT2AGAA
SCHEMBL16538208 0.80 EIF4E (0.51) TSHREIF4EMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420053-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2013-04-16 US disclosed
US-20110250133-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2011-10-13 US 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-20110250133-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS GRPR, GIPR, GHRHR TSHR 40/4885EIF4E 2935/4885MEN1 163/4885

“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.