SCHEMBL4451261

SCHEMBL4451261

Nc1cccc(C(=O)Cc2ccc(O)cc2)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.51
SHBG P04278 1/20 0.51
ESR2 Q92731 1/20 0.51
CA2 P00918 2/20 0.47
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
CAMK2A Q9UQM7 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP19A1 P11511 1/20 0.41
MMP2 P08253 1/20 0.41
ALOX5 P09917 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1878465 0.86 KDM4E (0.47) NPC1RAB9ALMNASMN1; SMN2GAA
SCHEMBL3346345 0.76 ESR1 (0.64) ESR1SHBGESR2CA2FNTA
SCHEMBL7533339 0.75 CYP19A1 (0.69) ESR1SHBGESR2CA2FNTA
SCHEMBL10582732 0.74 MMP2 (0.44) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL9737659 0.74 LIG1 (0.56) ESR1ESR2CA2RAB9ALMNA
SCHEMBL4175858 0.73 KDM4E (0.56) NPC1RAB9ALMNASMN1; SMN2GAA
SCHEMBL14677779 0.73 PTPN1 (0.52) GAAMAPTMMP2ALDH1A1HIF1A
SCHEMBL9632452 0.73 ALDH1A1 (0.46) SMN1; SMN2GAAMAPTMMP2ALDH1A1
SCHEMBL10954405 0.72 G6PD (0.52) LMNASMN1; SMN2MAPTMMP2MEN1
Hydrochloric Acid SCHEMBL9151636 0.72 KDM4E (0.54) NPC1RAB9ALMNASMN1; SMN2GAA

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-20090124555-A1 USE OF HISTOGRANIN AND HISTOGRANIN-LIKE COMPOUNDS AS INHIBITORS OF P2X7 RECEPTOR FUNCTION AND AS ANTI-ARTHRITIC AGENTS BERNATCHEZ-LEMAIRE IRMA 2009-05-14 US disclosed
WO-2007025366-A1 USE OF HISTOGRANIN AND HISTOGRANIN-LIKE COMPOUNDS AS INHIBITORS OF P2X7 RECEPTOR FUNCTION AND AS ANTI-ARTHRITIC AGENTS BERNATCHEZ-LEMAIRE IRMA (CA) 2007-03-08 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-20090124555-A1 USE OF HISTOGRANIN AND HISTOGRANIN-LIKE COMPOUNDS AS INHIBITORS OF P2X7 RECEPTOR FUNCTION AND AS ANTI-ARTHRITIC AGENTS P2RX5, P2RX3, P2RX2 ESR1 3152/4885SHBG 2156/4885ESR2 3078/4885

“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.