SCHEMBL13091007

SCHEMBL13091007

O=C(c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=S)[nH]c2c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.79
TSHR P16473 1/20 0.79
ALDH1A1 P00352 7/20 0.76
SMN1; SMN2 Q16637 6/20 0.76
USP2 O75604 5/20 0.76
HTT P42858 5/20 0.76
MAPK1 P28482 3/20 0.72
LMNA P02545 7/20 0.70
NPSR1 Q6W5P4 4/20 0.70
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
CACNA1G O43497 1/20 0.70
HSD17B10 Q99714 1/20 0.70
MAPT P10636 4/20 0.69
GALR3 O60755 1/20 0.66
TNF P01375 1/20 0.66
GAA P10253 1/20 0.66
RAB9A P51151 1/20 0.66
NOD1 Q9Y239 1/20 0.66
ALOX15 P16050 1/20 0.66

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
SCHEMBL19072837 0.86 HPGD (0.62) HPGDTSHRALDH1A1SMN1; SMN2USP2
SCHEMBL3629676 0.82 KMT2A (0.79) HPGDTSHRALDH1A1SMN1; SMN2USP2
SCHEMBL13091024 0.82 HTT (0.79) HPGDTSHRALDH1A1SMN1; SMN2USP2
SCHEMBL13091002 0.80 ALDH1A1 (0.85) HPGDTSHRALDH1A1SMN1; SMN2USP2
SCHEMBL13091043 0.75 HPGD (0.68) HPGDTSHRALDH1A1SMN1; SMN2USP2
SCHEMBL13090998 0.75 KMT2A (0.79) HPGDTSHRALDH1A1SMN1; SMN2HTT
SCHEMBL13091012 0.74 KMT2A (0.70) HPGDTSHRALDH1A1SMN1; SMN2USP2
SCHEMBL19073017 0.74 KMT2A (0.68) HPGDTSHRALDH1A1SMN1; SMN2USP2
SCHEMBL17242569 0.73 MEN1 (0.58) HPGDTSHRALDH1A1SMN1; SMN2USP2
SCHEMBL13091006 0.73 SMN1; SMN2 (0.78) HPGDTSHRALDH1A1SMN1; SMN2LMNA

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-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. 2010-10-21 US disclosed
US-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. 2010-10-21 US disclosed
WO-2009023558-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. (US) 2009-02-19 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-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS BAX, BCL2, BAD HPGD 1324/4885TSHR 4664/4885ALDH1A1 3966/4885

“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.