SCHEMBL3176240

SCHEMBL3176240

NCC[C@@H](O)c1cccc(COc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.50
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAOB P27338 4/20 0.46
MEN1 O00255 1/20 0.44

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
SCHEMBL2207119 0.91 KMT2A (0.58) KMT2ASMN1; SMN2MAOBMEN1
SCHEMBL29818763 0.91 KMT2A (0.58) KMT2ASMN1; SMN2MAOBMEN1
Hydrochloric Acid SCHEMBL16030632 0.90 KMT2A (0.56) KMT2ASMN1; SMN2MAOBMEN1
SCHEMBL10477980 0.82 KMT2A (0.50) KMT2ASMN1; SMN2MAOBMEN1
SCHEMBL3227928 0.81 AOC3 (0.40)
SCHEMBL15215133 0.81 FFAR1 (0.44) KMT2ASMN1; SMN2
SCHEMBL29818784 0.81 FFAR1 (0.44) KMT2ASMN1; SMN2
SCHEMBL2206301 0.81 FFAR1 (0.44) KMT2ASMN1; SMN2
SCHEMBL10287476 0.81 TSHR (0.43)
SCHEMBL612881 0.80 MAOA (0.46) SMN1; SMN2MAOB

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
US-8389771-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2013-03-05 US disclosed
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2013-01-31 US disclosed
US-8299307-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2012-10-30 US disclosed
US-20120004269-A1 Alkynyl Phenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. (US) 2012-01-05 US disclosed
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. 2009-03-05 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 (3 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-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders PDE6D, STARD3, PDE6C F10 4371/4885KMT2A 3829/4885SMN1; SMN2 465/4885
US-20130030026-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C F10 4371/4885KMT2A 3829/4885SMN1; SMN2 465/4885
US-20120004269-A1 Alkynyl Phenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, STARD3, PDE6C F10 4371/4885KMT2A 3829/4885SMN1; SMN2 465/4885

“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.