Sugi Predict

Sugi Predict / Compounds / SCHEMBL3467641

SCHEMBL3467641

SCHEMBL3467641

Cc1cccc(N/N=C(\Cl)C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.55
▸ MAPT P10636 5/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ HSD17B10 Q99714 1/20 0.49
▸ GAA P10253 3/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ LMNA P02545 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ ATM Q13315 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAOB P27338 2/20 0.43
▸ EGFR P00533 1/20 0.42
▸ MMP1 P03956 1/20 0.42

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
SCHEMBL3105639 1.00 SMN1; SMN2 (0.55) SMN1; SMN2MAPTMAPK1L3MBTL1NPC1
SCHEMBL3105641 1.00 SMN1; SMN2 (0.55) SMN1; SMN2MAPTMAPK1L3MBTL1NPC1
SCHEMBL9068415 0.87 SMN1; SMN2 (0.58) SMN1; SMN2MAPTMAPK1L3MBTL1NPC1
SCHEMBL9068410 0.87 SMN1; SMN2 (0.58) SMN1; SMN2MAPTMAPK1L3MBTL1NPC1
SCHEMBL2487154 0.82 KYAT1 (0.52) SMN1; SMN2MAPTMAPK1L3MBTL1NPC1
SCHEMBL1998080 0.82 KYAT1 (0.52) SMN1; SMN2MAPTMAPK1L3MBTL1NPC1
SCHEMBL8060308 0.82 KYAT1 (0.52) SMN1; SMN2MAPTMAPK1L3MBTL1NPC1
SCHEMBL3941339 0.81 CA1 (0.53) SMN1; SMN2MAPTHSD17B10GAAALDH1A1
SCHEMBL20893356 0.81 CA1 (0.53) SMN1; SMN2MAPTHSD17B10GAAALDH1A1
SCHEMBL3941336 0.81 CA1 (0.53) SMN1; SMN2MAPTHSD17B10GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306768-A1 PROCESSES FOR THE MANUFACTURE OF 3--PYRIDINE, 4-METHYL-3-METHYLTHIO-5-(3-PYRIDYL)-L,2,4-TRIAZOLE, AND (1R)-1-[2-(3-METHYLPHENYL)-2H-TETRAZOL-5-YL]ETHANOL ASTRAZENECA AB (SE) 2011-12-15 — — US disclosed
WO-2010071559-A1 PROCESSES FOR THE MANUFACTURE OF 3-{4-METHYL-5- [ (IR) -1- (2- (3-METHYLPHENYL) -2H-TETRAZOL-5-YL) -ETHOXY] -4H- [1,2, 4] TRIAZOL-3-YL} -PYRIDINE, 4-METHYL-3-METHYLTHIO-5- (3- PYRIDYL)-L,2,4-TRIAZOLE, AND (IR) -1- [2- (3-METHYLPHENYL) -2H- TETRAZOL-5-YL] ETHANOL ASTRAZENECA AB (SE) 2010-06-24 — — WO disclosed
US-20090131454-A1 New compounds 067 ASTRAZENECA AB (SE) 2009-05-21 — — 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 (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-20090131454-A1 New compounds 067 UGT2B7, UGT1A7, CYP3A7 SMN1; SMN2 3071/4885MAPT 291/4885MAPK1 3857/4885
US-20110306768-A1 PROCESSES FOR THE MANUFACTURE OF 3--PYRIDINE, 4-METHYL-3-METHYLTHIO-5-(3-PYRIDYL)-L,2,4-TRIAZOLE, AND (1R)-1-[2-(3-METHYLPHENYL)-2H-TETRAZOL-5-YL]ETHANOL ADH1A, ADH5, ADH1C SMN1; SMN2 2439/4885MAPT 1497/4885MAPK1 582/4885

“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.