SCHEMBL1710445

SCHEMBL1710445

OC1(CSc2cccc(Br)c2)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
ALDH1A1 P00352 8/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CTSK P43235 1/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 5/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33

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
SCHEMBL1710546 0.98 MAOA (0.44) MAOAALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL13400273 0.78 ALDH1A1 (0.39) MAOAALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL1710508 0.76 ALDH1A1 (0.40) MAOAALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL3389330 0.75 HTR6 (0.39) MAOAALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL13432805 0.75 PNMT (0.40) ALDH1A1SMN1; SMN2TDP1MAPK1LMNA
SCHEMBL1725270 0.74 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TDP1MAPK1LMNA
SCHEMBL3389335 0.74 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2TDP1MAPK1LMNA
SCHEMBL3389340 0.74 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2TDP1MAPK1LMNA
SCHEMBL17690230 0.73 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2TDP1GAANPSR1
SCHEMBL613450 0.73 TAAR1 (0.47) SMN1; SMN2TDP1CYP2C9CYP2C19

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
EP-2344451-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-20 EP disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 MAOA 3658/4885ALDH1A1 314/4885SMN1; SMN2 129/4885

“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.