SCHEMBL3132889

SCHEMBL3132889

CCCC(CCC)C(=O)Nc1cccc(Br)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.63
CA2 P00918 2/20 0.63
GAA P10253 1/20 0.60
HDAC1 Q13547 2/20 0.55
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HPGD P15428 1/20 0.54
RAB9A P51151 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
HDAC4 P56524 2/20 0.50
MEF2D Q14814 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50

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
SCHEMBL20621920 0.80 MEN1 (0.65) CA1CA2HDAC1ALDH1A1SMN1; SMN2
SCHEMBL15946023 0.79 CA1 (0.60) CA1CA2HDAC1ALDH1A1TSHR
SCHEMBL14519972 0.79 ALDH1A1 (0.75) GAAALDH1A1SMN1; SMN2L3MBTL1HPGD
SCHEMBL34460125 0.79 ALDH1A1 (0.75) GAAALDH1A1SMN1; SMN2L3MBTL1HPGD
SCHEMBL15946015 0.78 CA1 (0.59) CA1CA2HDAC1ALDH1A1HPGD
SCHEMBL15946022 0.78 CA1 (0.59) CA1CA2HDAC1ALDH1A1SMN1; SMN2
SCHEMBL8156593 0.78 GAA (0.59) GAAALDH1A1SMN1; SMN2L3MBTL1HPGD
SCHEMBL2487295 0.78 HTT (0.58) CA1CA2GAAALDH1A1SMN1; SMN2
SCHEMBL5183778 0.76 GAA (0.76) GAAALDH1A1SMN1; SMN2L3MBTL1HPGD
SCHEMBL29351970 0.76 GAA (0.76) GAAALDH1A1SMN1; SMN2L3MBTL1HPGD

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-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 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-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 CA1 4789/4885CA2 1745/4885GAA 34/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 CA1 4789/4885CA2 1745/4885GAA 34/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 CA1 4789/4885CA2 1745/4885GAA 34/4885

“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.