SCHEMBL5121884

SCHEMBL5121884

COC(=O)Cn1c(S)nc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.67
ALDH1A1 P00352 3/20 0.67
HSD17B10 Q99714 4/20 0.64
NPC1 O15118 1/20 0.64
MAPT P10636 3/20 0.60
KMT2A Q03164 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
AR P10275 1/20 0.52
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.49
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL12495433 0.84 ALDH1A1 (0.72) KDM4EALDH1A1HSD17B10NPC1MAPT
SCHEMBL8268180 0.82 KDM4E (0.67) KDM4EALDH1A1HSD17B10NPC1MAPT
SCHEMBL4292873 0.81 KDM4E (0.65) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL3580770 0.81 KDM4E (0.65) KDM4EALDH1A1HSD17B10NPC1MAPT
SCHEMBL15474489 0.80 KDM4E (0.72) KDM4EALDH1A1HSD17B10NPC1MAPT
SCHEMBL12410831 0.80 KDM4E (0.64) KDM4EALDH1A1HSD17B10NPC1MAPT
SCHEMBL13610820 0.79 ALDH1A1 (0.50) KDM4EALDH1A1HSD17B10MAPTKMT2A
SCHEMBL8609116 0.79 KDM4E (0.44) KDM4EALDH1A1HSD17B10NPC1MAPT
SCHEMBL15643536 0.78 MAPT (0.65) KDM4EALDH1A1HSD17B10NPC1MAPT
SCHEMBL18968584 0.78 KDM4E (0.64) KDM4EALDH1A1HSD17B10NPC1MAPT

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-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 US claimed
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 US disclosed
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use ADCYAP1R1, VIPR2, ADCY2 KDM4E 2974/4885ALDH1A1 2368/4885HSD17B10 1838/4885
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists HRH2, HRH1, HRH3 KDM4E 4631/4885ALDH1A1 470/4885HSD17B10 1466/4885

“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.