SCHEMBL5375162

SCHEMBL5375162

c1cc(CNC[C@H]2CO2)cs1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
MOGAT2 Q3SYC2 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL4520549 0.79 HDAC6 (0.47) HDAC8HDAC6NPC1ALDH1A1KMT2A
SCHEMBL3156503 0.77 HDAC8 (0.59) HDAC8HDAC6NPC1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6122554 0.75 HDAC8 (0.58) HDAC8HDAC6NPC1ALDH1A1KMT2A
SCHEMBL19125641 0.74 DRD2 (0.56) ALDH1A1KMT2ADRD2DRD4DRD3
SCHEMBL2592594 0.74 DRD2 (0.56) ALDH1A1KMT2ADRD2DRD4DRD3
SCHEMBL10762009 0.73 TAAR1 (0.48) HDAC8HDAC6NPC1ALDH1A1KMT2A
SCHEMBL16641032 0.73 ATM (0.54) ALDH1A1KMT2ADRD2DRD4DRD3
SCHEMBL28543276 0.71 ALDH1A1 (0.47) ALDH1A1KMT2ADRD2DRD4DRD3
SCHEMBL2588682 0.71 KMT2A (0.67) ALDH1A1KMT2A
SCHEMBL21896280 0.69 TSHR (0.38) ALDH1A1KMT2ATAAR1

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-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTIALS INC. (US) 2005-05-19 US disclosed
EP-1216244-B1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMA INC (US) 2003-08-13 EP 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-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists DRD4, DRD2, DRD1 HDAC8 1875/4885HDAC6 462/4885NPC1 2469/4885

“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.