SCHEMBL7594547

SCHEMBL7594547

Cc1ccc2sc(C(=CC3CCN(Cc4ccccc4)CC3)C(=O)C(=CC3CCN(Cc4ccccc4)CC3)c3cc4cc(C)ccc4s3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.44
UTS2R Q9UKP6 1/20 0.43
ACHE P22303 3/20 0.42
BACE1 P56817 2/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHRNA7 P36544 1/20 0.41
HTR3A P46098 1/20 0.41
BCHE P06276 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7594044 0.89 SLC6A2 (0.48) HDAC8UTS2RACHEBCHE
SCHEMBL7609336 0.84 HDAC8 (0.54) HDAC8UTS2RACHEDCUN1D1KDM4E
SCHEMBL7594548 0.80 GAA (0.45) UTS2RDCUN1D1CHRNA7HTR3AGAA
SCHEMBL421932 0.79 ACHE (0.59) ACHEBCHE
SCHEMBL27293541 0.78 ACHE (0.42) UTS2RACHEBACE1BCHE
SCHEMBL9388395 0.77 GAA (0.41) UTS2RACHEBACE1GAA
SCHEMBL7598488 0.76 SMN1; SMN2 (0.46) SMN1; SMN2TSHR
SCHEMBL7598485 0.76 SMN1; SMN2 (0.46) SMN1; SMN2TSHR
SCHEMBL9382105 0.75 DRD2 (0.54) ACHEBCHE
SCHEMBL7596216 0.74 HDAC8 (0.44) HDAC8ACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020049210-A1 Heteroaryl amines as novel acetylcholinesterase inhibitors CHEN YUHPYNG L (US) 2002-04-25 US disclosed
US-6303633-B1 FOR THERAPY AND PROPHYLAXIS OF ALZHEIMER'S DISEASE PFIZER INC 2001-10-16 US disclosed
US-6124321-A Heteroaryl amines as novel acetyl cholinesterase inhibitors PFIZER INC (US) 2000-09-26 US disclosed
US-5965574-A Heteroaryl amines as novel acetylcholinesterase inhibitors CHEN YUHPYNG LIANG (US) 1999-10-12 US disclosed
US-5574046-A Heteroaryl amines as novel acetylcholinesterase inhibitors PFIZER INC. (US) 1996-11-12 US disclosed
WO-1993007140-A1 HETEROARYL AMINES AS NOVEL ACETYL CHOLINESTERASE INHIBITORS PFIZER INC. (US) 1993-04-15 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-20020049210-A1 Heteroaryl amines as novel acetylcholinesterase inhibitors ACHE, BCHE, CHAT HDAC8 1384/4885UTS2R 1754/4885ACHE 1/4885

“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.