SCHEMBL4335576

SCHEMBL4335576

COc1cc(Cl)ccc1Sc1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.47
IDO1 P14902 6/20 0.46
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42
TUBA1C Q9BQE3 2/20 0.42
TUBB6 Q9BUF5 2/20 0.42
TUBB2B Q9BVA1 2/20 0.42
TUBB1 Q9H4B7 2/20 0.42
EGFR P00533 1/20 0.40
LCK P06239 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL11756830 0.82 SLC6A9 (0.51) SLC6A9IDO1
SCHEMBL4342646 0.82 SLC6A9 (0.40) SLC6A9IDO1TUBB4ATUBBTUBA3C
SCHEMBL10736562 0.79 MEN1 (0.48) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4336068 0.77 SLC6A9 (0.43) SLC6A9IDO1ALDH1A1HPGDHAO1
SCHEMBL31345531 0.75 MAPT (0.56) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4335544 0.75 SLC6A9 (0.47) SLC6A9TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11760048 0.75 SLC6A4 (0.43) SLC6A9IDO1KDM4EHAO1PDE7A
SCHEMBL11757879 0.75 SLC6A4 (0.51) SLC6A9IDO1KDM4EHAO1PDE7A
SCHEMBL4337764 0.74 HSD17B10 (0.59) SLC6A9IDO1ALDH1A1HPGDHAO1
SCHEMBL4347570 0.73 PTGS1 (0.40) SLC6A9IDO1TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612068-B2 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2009-11-03 US disclosed
US-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives H. LUNDBECK A/S (DK) 2006-10-19 US disclosed
EP-1622868-A1 AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2006-02-08 EP disclosed
WO-2004096761-A1 AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES H. LUNDBECK A/S (DK) 2004-11-11 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-20060235003-A1 Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives TYR, TPST2, COMT SLC6A9 2305/4885IDO1 899/4885TUBB4A 1030/4885

“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.