SCHEMBL18917669

SCHEMBL18917669

O=S(=O)(c1ccccc1)n1ccc2cc(CC3CCNCC3)ccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.67
DRD3 P35462 2/20 0.61
CYP3A4 P08684 1/20 0.56
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
DRD2 P14416 1/20 0.51
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL3407441 0.81 HTR6 (1.00) HTR6DRD3CYP3A4
Hydrochloric Acid SCHEMBL3215761 0.80 HTR6 (0.98) HTR6DRD3CYP3A4
SCHEMBL18917952 0.79 HTR6 (0.58) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL18927009 0.78 HTR6 (0.55) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL314139 0.77 SLC6A2 (0.68) HTR6DRD3CYP3A4HDAC3HDAC4
SCHEMBL4504878 0.76 HTR6 (0.63) HTR6CYP3A4HDAC3HDAC4HDAC1
SCHEMBL19268814 0.76 HTR6 (0.66) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL20946377 0.76 HTR6 (0.63) HTR6CYP3A4HDAC3HDAC4HDAC1
SCHEMBL4094100 0.76 HTR6 (0.63) HTR6CYP3A4HDAC3HDAC4HDAC1
SCHEMBL8932772 0.76 HDAC1 (0.66) HTR6DRD3CYP3A4HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017096045-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. (US) 2017-06-08 WO disclosed
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 US disclosed
WO-2017096045-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. (US) 2017-06-08 WO disclosed
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 US disclosed
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 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 (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-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KRAS, HRAS, NRAS HTR6 4116/4885DRD3 4405/4885CYP3A4 4863/4885

“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.