SCHEMBL3853007

SCHEMBL3853007

Cc1c(-c2ccccc2)[nH]c2cccc(Br)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.49
TUBB P07437 2/20 0.49
TUBA3C P0DPH7 2/20 0.49
TUBA1B P68363 2/20 0.49
TUBA4A P68366 2/20 0.49
TUBB4B P68371 2/20 0.49
TUBB3 Q13509 2/20 0.49
TUBB2A Q13885 2/20 0.49
TUBB8 Q3ZCM7 2/20 0.49
TUBA3E Q6PEY2 2/20 0.49
TUBA1A Q71U36 2/20 0.49
TUBA1C Q9BQE3 2/20 0.49
TUBB6 Q9BUF5 2/20 0.49
TUBB2B Q9BVA1 2/20 0.49
TUBB1 Q9H4B7 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.42
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL10602638 0.80 ALOX5 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29782575 0.76 AHR (0.52) SMN1; SMN2AHRCCNB2CCNE2CDK1
SCHEMBL22609023 0.76 AHR (0.52) SMN1; SMN2AHRCCNB2CCNE2CDK1
SCHEMBL1260425 0.74 CYP11B1 (0.66) ESR1ESR2CYP11B1CYP11B2AHR
SCHEMBL28104754 0.73 PTGS2 (0.49) ESR1ESR2
Potassium SCHEMBL3627554 0.73 AHR (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28105152 0.72 HTR6 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17845150 0.71 CYP1A2 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6008314 0.70 FEN1 (0.52) AHRCCNB2CCNE2CDK1CDK4
SCHEMBL30439700 0.70 FEN1 (0.52) AHRCCNB2CCNE2CDK1CDK4

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.