SCHEMBL3853971

SCHEMBL3853971

Brc1ccc2[nH]c(-c3ccccc3)c(Cc3ccccc3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 5/20 0.71
TUBB P07437 5/20 0.71
TUBA3C P0DPH7 5/20 0.71
TUBA1B P68363 5/20 0.71
TUBA4A P68366 5/20 0.71
TUBB4B P68371 5/20 0.71
TUBB3 Q13509 5/20 0.71
TUBB2A Q13885 5/20 0.71
TUBB8 Q3ZCM7 5/20 0.71
TUBA3E Q6PEY2 5/20 0.71
TUBA1A Q71U36 5/20 0.71
TUBA1C Q9BQE3 5/20 0.71
TUBB6 Q9BUF5 5/20 0.71
TUBB2B Q9BVA1 5/20 0.71
TUBB1 Q9H4B7 5/20 0.71
PPARG P37231 4/20 0.50
KIF11 P52732 3/20 0.50
PTGS2 P35354 2/20 0.49
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48

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
SCHEMBL28906447 0.94 TUBB4A (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10443772 0.82 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3858085 0.82 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3852376 0.79 PPARG (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1505830 0.79 MDM4 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15563263 0.78 PTGS2 (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7231679 0.77 PPARG (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1460051 0.76 F2 (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28906377 0.76 PTGS2 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7650562 0.75 HTR2A (0.75) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582773-B2 Substituted phenyl indoles WYETH (US) 2009-09-01 US disclosed
US-20050070592-A1 Substituted phenyl indoles WYETH (US) 2005-03-31 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-20050070592-A1 Substituted phenyl indoles TPH2, IDO2, AANAT TUBB4A 614/4885TUBB 763/4885TUBA3C 443/4885

“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.